Calcium in PDB 8sog: Proteinase K Multiconformer Model at 313K

Enzymatic activity of Proteinase K Multiconformer Model at 313K

All present enzymatic activity of Proteinase K Multiconformer Model at 313K:
3.4.21.64;

Protein crystallography data

The structure of Proteinase K Multiconformer Model at 313K, PDB code: 8sog was solved by S.Du, S.Wankowicz, F.Yabukarski, T.Doukov, D.Herschlag, J.S.Fraser, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 35.37 / 1.13
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 68.403, 68.403, 103.707, 90, 90, 90
R / Rfree (%) 11.9 / 15.1

Calcium Binding Sites:

The binding sites of Calcium atom in the Proteinase K Multiconformer Model at 313K (pdb code 8sog). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 6 binding sites of Calcium where determined in the Proteinase K Multiconformer Model at 313K, PDB code: 8sog:
Jump to Calcium binding site number: 1; 2; 3; 4; 5; 6;

Calcium binding site 1 out of 6 in 8sog

Go back to Calcium Binding Sites List in 8sog
Calcium binding site 1 out of 6 in the Proteinase K Multiconformer Model at 313K


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Proteinase K Multiconformer Model at 313K within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca302

b:9.4
occ:0.26
 CA A:CA302 0.0 9.4 0.3
O A:HOH474 0.5 24.4 0.1
O A:HOH474 0.6 19.5 0.1
O A:HOH474 2.0 23.9 0.1
OD2 A:ASP200 2.0 10.7 0.1
O A:HOH474 2.0 18.3 0.3
CA A:CA302 2.1 24.3 0.3
OD2 A:ASP200 2.2 9.7 0.1
O A:HOH596 2.2 17.4 0.1
O A:HOH474 2.2 23.1 0.2
OD2 A:ASP200 2.3 11.1 0.1
O A:VAL177 2.3 11.0 0.1
CA A:CA302 2.3 18.7 0.1
CA A:CA302 2.4 14.9 0.1
O A:PRO175 2.4 13.2 0.2
OD2 A:ASP200 2.4 7.9 0.2
O A:VAL177 2.4 16.2 0.2
CA A:CA302 2.4 16.7 0.1
OD2 A:ASP200 2.4 11.7 0.3
O A:VAL177 2.4 11.8 0.1
O A:PRO175 2.5 12.7 0.1
O A:PRO175 2.5 9.2 0.2
O A:HOH596 2.5 8.8 0.1
O A:VAL177 2.5 9.8 0.3
O A:VAL177 2.5 5.8 0.3
O A:PRO175 2.5 13.1 0.2
O A:VAL177 2.5 9.2 0.1
OD2 A:ASP200 2.5 9.1 0.3
O A:HOH596 2.6 25.5 0.1
OD1 A:ASP200 2.6 10.2 0.3
O A:HOH474 2.6 16.0 0.3
OD1 A:ASP200 2.7 7.9 0.2
O A:HOH596 2.7 68.4 0.3
CA A:CA302 2.7 82.0 0.2
O A:HOH565 2.7 47.6 1.0
O A:HOH596 2.7 25.0 0.2
OD1 A:ASP200 2.8 12.6 0.3
CG A:ASP200 2.8 10.7 0.1
CG A:ASP200 2.8 7.9 0.2
O A:HOH596 2.8 45.4 0.3
O A:PRO175 2.8 13.4 0.3
CG A:ASP200 2.9 11.1 0.1
CG A:ASP200 2.9 9.5 0.3
CG A:ASP200 2.9 11.8 0.3
OD1 A:ASP200 3.0 10.8 0.1
OD1 A:ASP200 3.0 11.2 0.1
CG A:ASP200 3.0 9.3 0.1
OD1 A:ASP200 3.1 9.2 0.1
C A:PRO175 3.4 13.3 0.2
C A:PRO175 3.5 12.7 0.1
HA A:PRO175 3.5 15.4 0.1
C A:VAL177 3.5 10.9 0.1
HA A:PRO175 3.5 14.1 0.3
HA A:PRO175 3.5 16.2 0.2
HA A:CYS178 3.6 12.6 0.1
C A:PRO175 3.6 8.9 0.2
C A:PRO175 3.6 12.6 0.2
C A:PRO175 3.6 12.1 0.3
HA A:CYS178 3.6 9.2 0.3
C A:VAL177 3.6 16.1 0.2
C A:VAL177 3.6 11.5 0.1
H A:VAL177 3.6 14.1 0.1
C A:VAL177 3.7 9.6 0.1
C A:VAL177 3.7 9.5 0.3
HA A:CYS178 3.7 11.2 0.2
C A:VAL177 3.7 6.7 0.3
HA A:CYS178 3.7 11.3 0.2
HA A:CYS178 3.7 10.9 0.2
H A:THR179 3.8 9.7 0.3
H A:THR179 3.9 12.9 0.1
H A:THR179 3.9 9.9 0.2
H A:VAL177 3.9 12.2 0.1
N A:VAL177 4.0 11.7 0.1
HA A:PRO175 4.0 10.6 0.2
CA A:PRO175 4.0 12.8 0.1
HA A:PRO175 4.0 14.8 0.2
H A:THR179 4.0 9.3 0.2
CA A:PRO175 4.0 13.5 0.2
H A:THR179 4.1 11.0 0.2
CA A:PRO175 4.1 11.7 0.3
N A:VAL177 4.1 10.2 0.1
O A:VAL198 4.2 11.7 0.1
H A:VAL177 4.2 10.5 0.3
CB A:ASP200 4.3 7.8 0.2
CB A:ASP200 4.3 10.7 0.1
N A:VAL177 4.3 11.7 0.3
N A:VAL177 4.3 8.7 0.3
H A:VAL177 4.3 14.0 0.3
N A:VAL177 4.3 12.1 0.1
O A:GLU174 4.3 8.6 0.2
O A:VAL198 4.3 11.9 0.3
O A:GLU174 4.4 11.3 0.3
HA A:SER176 4.4 12.0 0.2
CB A:ASP200 4.4 11.0 0.1
CA A:CYS178 4.4 10.5 0.1
CA A:VAL177 4.4 11.4 0.1
O A:VAL198 4.4 12.3 0.1
H A:VAL177 4.4 14.6 0.1
HA A:SER176 4.4 14.6 0.2
CB A:ASP200 4.4 11.8 0.3
N A:CYS178 4.4 10.2 0.2
CA A:PRO175 4.4 12.3 0.2
N A:VAL177 4.4 15.7 0.2
CA A:PRO175 4.4 8.9 0.2
CB A:ASP200 4.4 9.5 0.1
O A:GLU174 4.4 12.9 0.1
O A:VAL198 4.4 10.4 0.1
OG1 A:THR179 4.4 8.7 0.2
N A:CYS178 4.4 11.0 0.1
CB A:ASP200 4.4 9.4 0.3
CA A:CYS178 4.4 7.7 0.3
C A:SER176 4.4 12.8 0.2
O A:VAL198 4.5 12.2 0.3
CA A:CYS178 4.5 9.4 0.2
O A:VAL198 4.5 19.0 0.2
CA A:CYS178 4.5 9.4 0.2
O A:GLU174 4.5 13.7 0.2
HB2 A:ASP200 4.5 12.8 0.1
HB3 A:ASP200 4.5 9.4 0.2
C A:SER176 4.5 12.4 0.1
CA A:CYS178 4.5 9.1 0.2
N A:CYS178 4.5 9.6 0.2
N A:SER176 4.5 13.5 0.2
N A:SER176 4.5 12.7 0.1
N A:CYS178 4.5 7.3 0.3
N A:CYS178 4.5 9.3 0.2
N A:SER176 4.5 12.5 0.2
O A:HOH607 4.5 45.1 1.0
N A:THR179 4.6 8.0 0.3
N A:SER176 4.6 9.3 0.2
N A:SER176 4.6 11.5 0.3
C A:SER176 4.6 11.9 0.2
HB2 A:ASP200 4.6 13.2 0.1
HB2 A:ASP200 4.6 9.4 0.2
CA A:VAL177 4.6 9.9 0.1
C A:SER176 4.6 9.8 0.3
N A:THR179 4.6 8.3 0.2
HB2 A:ASP200 4.6 11.4 0.1
HB3 A:ASP200 4.6 12.8 0.1
C A:SER176 4.6 10.3 0.2
O A:GLU174 4.6 12.7 0.2
CA A:VAL177 4.6 10.3 0.3
N A:THR179 4.6 10.8 0.1
HA A:SER176 4.6 16.3 0.2
CA A:VAL177 4.6 7.5 0.3
CA A:VAL177 4.7 11.9 0.1
HG13 A:VAL198 4.7 17.7 0.3
CA A:VAL177 4.7 15.9 0.2
HB A:THR179 4.7 9.9 0.3
HB2 A:ASP200 4.7 14.2 0.3
O A:HOH419 4.7 39.6 1.0
N A:THR179 4.7 9.1 0.2
HG1 A:THR179 4.7 12.6 0.2
HG22 A:VAL198 4.7 17.2 0.3
HG22 A:VAL177 4.7 10.8 0.3
HA A:SER176 4.7 15.2 0.1
CA A:SER176 4.7 10.0 0.2
HB A:THR179 4.7 10.6 0.2
CA A:SER176 4.7 12.1 0.2
HB3 A:ASP200 4.7 13.2 0.1
N A:THR179 4.7 7.7 0.2
HB3 A:ASP200 4.8 14.2 0.3
SG A:CYS249 4.8 11.5 0.2
OG1 A:THR179 4.8 10.5 0.2
HB2 A:ASP200 4.8 11.3 0.3
CA A:SER176 4.8 13.6 0.2
HB2 A:PRO175 4.8 15.6 0.1
HG22 A:VAL198 4.8 13.6 0.1
HB3 A:ASP200 4.8 11.3 0.3
HG22 A:VAL198 4.8 16.0 0.1
HA A:SER176 4.8 13.1 0.3
HB2 A:PRO175 4.8 16.5 0.2
O A:SER176 4.9 13.1 0.2
CA A:SER176 4.9 12.7 0.1
HA A:VAL177 4.9 13.7 0.1
O A:SER176 4.9 12.5 0.1
HB3 A:PRO175 4.9 14.2 0.3
SG A:CYS249 4.9 13.3 0.3
HB3 A:ASP200 4.9 11.4 0.1
HG22 A:VAL177 4.9 14.3 0.1
HB A:THR179 4.9 12.0 0.2
CA A:SER176 4.9 10.9 0.3
SG A:CYS249 5.0 10.5 0.3
HG23 A:VAL177 5.0 14.3 0.1
CB A:PRO175 5.0 13.0 0.1
HG23 A:VAL198 5.0 22.9 0.2
HG23 A:VAL198 5.0 14.8 0.1
OG1 A:THR179 5.0 8.2 0.2
SG A:CYS249 5.0 11.2 0.1
CB A:PRO175 5.0 13.8 0.2
HG22 A:VAL198 5.0 14.8 0.1

Calcium binding site 2 out of 6 in 8sog

Go back to Calcium Binding Sites List in 8sog
Calcium binding site 2 out of 6 in the Proteinase K Multiconformer Model at 313K


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Proteinase K Multiconformer Model at 313K within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca302

b:16.7
occ:0.13
 CA A:CA302 0.0 16.7 0.1
CA A:CA302 0.2 14.9 0.1
O A:HOH596 0.4 25.5 0.1
O A:HOH474 0.4 16.0 0.3
O A:HOH474 0.5 18.3 0.3
O A:HOH596 0.6 25.0 0.2
CA A:CA302 2.4 9.4 0.3
HG1 A:THR179 2.5 12.6 0.2
O A:HOH596 2.6 8.8 0.1
OG1 A:THR179 2.6 8.7 0.2
HG13 A:VAL198 2.7 17.7 0.3
HG22 A:VAL198 2.7 13.6 0.1
CA A:CA302 2.7 18.7 0.1
O A:VAL177 2.8 9.2 0.1
O A:HOH596 2.8 17.4 0.1
HG22 A:VAL198 2.8 17.2 0.3
OD2 A:ASP200 2.8 7.9 0.2
OG1 A:THR179 2.8 10.5 0.2
HA A:PRO175 2.8 15.4 0.1
O A:VAL177 2.8 11.0 0.1
O A:GLU174 2.9 12.9 0.1
O A:HOH474 2.9 24.4 0.1
HG22 A:VAL198 2.9 16.0 0.1
OD2 A:ASP200 2.9 11.7 0.3
HG1 A:THR179 2.9 9.9 0.2
HG22 A:VAL198 2.9 14.8 0.1
O A:VAL177 2.9 5.8 0.3
HA A:PRO175 2.9 16.2 0.2
O A:VAL177 2.9 16.2 0.2
HG1 A:THR179 2.9 13.3 0.1
O A:GLU174 2.9 13.7 0.2
OG1 A:THR179 3.0 8.2 0.2
OG1 A:THR179 3.0 11.1 0.1
HA A:PRO175 3.0 14.1 0.3
O A:GLU174 3.0 8.6 0.2
HG22 A:VAL198 3.0 22.9 0.2
O A:VAL198 3.0 10.4 0.1
O A:GLU174 3.0 11.3 0.3
O A:HOH474 3.0 19.5 0.1
OD2 A:ASP200 3.0 11.1 0.1
O A:VAL198 3.0 12.2 0.3
OD2 A:ASP200 3.0 9.7 0.1
O A:HOH596 3.1 45.4 0.3
O A:GLU174 3.1 12.7 0.2
OD2 A:ASP200 3.1 9.1 0.3
OD2 A:ASP200 3.1 10.7 0.1
HG1 A:THR179 3.1 9.7 0.3
HB A:THR179 3.1 9.9 0.3
O A:HOH596 3.1 68.4 0.3
CA A:CA302 3.2 82.0 0.2
HA A:PRO175 3.2 14.8 0.2
O A:VAL198 3.2 11.7 0.1
O A:VAL198 3.2 12.3 0.1
O A:VAL198 3.2 11.9 0.3
OG1 A:THR179 3.2 8.1 0.3
HG23 A:VAL198 3.2 22.9 0.2
H A:THR179 3.2 12.9 0.1
O A:PRO175 3.3 13.1 0.2
O A:VAL198 3.3 19.0 0.2
O A:VAL177 3.3 11.8 0.1
O A:PRO175 3.3 9.2 0.2
HG23 A:VAL198 3.3 14.8 0.1
HB A:THR179 3.4 10.6 0.2
H A:THR179 3.4 9.7 0.3
HB A:THR179 3.4 12.0 0.2
O A:VAL177 3.4 9.8 0.3
H A:THR179 3.4 9.3 0.2
O A:PRO175 3.5 13.2 0.2
CG1 A:VAL198 3.5 14.8 0.3
HA A:PRO175 3.5 10.6 0.2
CG2 A:VAL198 3.5 11.3 0.1
HG23 A:VAL198 3.5 13.6 0.1
O A:PRO175 3.5 12.7 0.1
CB A:THR179 3.5 8.8 0.2
CG2 A:VAL198 3.5 12.3 0.1
CG2 A:VAL198 3.6 19.1 0.2
HG22 A:VAL177 3.6 10.8 0.3
HB A:THR179 3.6 13.2 0.1
HB A:THR179 3.6 9.2 0.2
H A:VAL177 3.6 14.1 0.1
HG12 A:VAL198 3.6 17.7 0.3
CA A:PRO175 3.6 12.8 0.1
CB A:THR179 3.6 8.3 0.3
CB A:THR179 3.7 10.0 0.2
H A:THR179 3.7 9.9 0.2
CG2 A:VAL198 3.7 14.4 0.3
CG2 A:VAL198 3.7 13.3 0.1
H A:THR179 3.7 11.0 0.2
CG A:ASP200 3.7 7.9 0.2
CA A:PRO175 3.7 13.5 0.2
HG23 A:VAL198 3.7 16.0 0.1
C A:PRO175 3.7 12.6 0.2
HG11 A:VAL198 3.8 17.7 0.3
CA A:PRO175 3.8 11.7 0.3
HG23 A:VAL198 3.8 17.2 0.3
HG22 A:VAL177 3.8 14.3 0.1
C A:PRO175 3.8 12.7 0.1
CB A:THR179 3.8 11.0 0.1
C A:VAL177 3.8 10.9 0.1
C A:PRO175 3.8 13.3 0.2
HG23 A:VAL177 3.8 14.3 0.1
CB A:THR179 3.8 7.7 0.2
CA A:PRO175 3.8 12.3 0.2
OD1 A:ASP200 3.9 7.9 0.2
C A:VAL177 3.9 16.1 0.2
C A:GLU174 3.9 12.8 0.1
H A:VAL177 3.9 12.2 0.1
CG A:ASP200 3.9 11.8 0.3
CG A:ASP200 3.9 10.7 0.1
C A:GLU174 3.9 11.0 0.3
N A:THR179 3.9 10.8 0.1
C A:PRO175 3.9 8.9 0.2
HG23 A:VAL177 3.9 18.8 0.2
C A:VAL177 3.9 9.6 0.1
C A:GLU174 3.9 13.2 0.2
O A:ALA172 3.9 11.4 0.2
O A:PRO175 3.9 13.4 0.3
HG23 A:VAL177 3.9 12.2 0.1
HG23 A:VAL177 4.0 10.8 0.3
N A:THR179 4.0 8.0 0.3
O A:ALA172 4.0 8.6 0.2
C A:PRO175 4.0 12.1 0.3
C A:GLU174 4.0 8.2 0.2
C A:VAL177 4.0 6.7 0.3
N A:THR179 4.0 7.7 0.2
O A:ALA172 4.0 12.6 0.1
C A:VAL177 4.0 11.5 0.1
HG21 A:VAL198 4.0 13.6 0.1
HG23 A:VAL177 4.0 14.0 0.1
HG21 A:VAL198 4.0 22.9 0.2
HG21 A:VAL198 4.1 14.8 0.1
CG A:ASP200 4.1 11.1 0.1
N A:THR179 4.1 9.1 0.2
CG A:ASP200 4.1 9.5 0.3
C A:GLU174 4.1 12.2 0.2
CA A:PRO175 4.1 8.9 0.2
N A:THR179 4.1 8.3 0.2
OD1 A:ASP200 4.1 10.8 0.1
O A:ALA172 4.1 11.5 0.2
C A:VAL177 4.1 9.5 0.3
HG21 A:VAL198 4.1 17.2 0.3
C A:VAL198 4.1 10.4 0.1
HG21 A:VAL198 4.1 16.0 0.1
HA A:CYS178 4.2 12.6 0.1
CG A:ASP200 4.2 9.3 0.1
H A:VAL177 4.2 10.5 0.3
H A:VAL177 4.2 14.0 0.3
C A:VAL198 4.2 12.0 0.3
OD1 A:ASP200 4.2 12.6 0.3
C A:VAL198 4.2 11.6 0.1
HG22 A:VAL177 4.2 12.2 0.1
CG2 A:VAL177 4.2 9.0 0.3
HA A:CYS178 4.2 11.2 0.2
N A:PRO175 4.2 12.8 0.1
H A:VAL177 4.2 14.6 0.1
C A:VAL198 4.3 11.3 0.3
CG2 A:VAL177 4.3 11.9 0.1
N A:PRO175 4.3 11.1 0.3
O A:ALA172 4.3 10.8 0.3
N A:VAL177 4.3 11.7 0.1
HA A:VAL198 4.3 13.2 0.1
C A:VAL198 4.3 18.7 0.2
O A:HOH474 4.3 23.9 0.1
N A:PRO175 4.3 13.3 0.2
C A:VAL198 4.3 12.1 0.1
OD1 A:ASP200 4.3 10.2 0.3
O A:HOH474 4.3 23.1 0.2
HA A:CYS178 4.4 9.2 0.3
HA A:CYS178 4.4 10.9 0.2
HG22 A:VAL177 4.4 14.0 0.1
HG21 A:THR179 4.4 10.5 0.2
HG22 A:VAL177 4.4 18.8 0.2
CA A:CA302 4.4 24.3 0.3
OD1 A:ASP200 4.4 11.2 0.1
CA A:THR179 4.4 8.0 0.3
HG23 A:VAL177 4.5 7.0 0.3
N A:VAL177 4.5 10.2 0.1
HA A:VAL198 4.5 22.3 0.2
HG22 A:VAL177 4.5 7.0 0.3
N A:PRO175 4.5 12.3 0.2
CA A:THR179 4.5 8.2 0.2
HA A:CYS178 4.5 11.3 0.2
CA A:THR179 4.5 9.5 0.2
CA A:THR179 4.5 10.9 0.1
HA A:VAL198 4.5 14.3 0.1
N A:PRO175 4.5 8.3 0.2
CG2 A:VAL177 4.5 10.1 0.1
HA A:VAL198 4.6 14.5 0.3
N A:VAL177 4.6 11.7 0.3
CG2 A:THR179 4.6 8.7 0.2
HG13 A:VAL198 4.6 13.0 0.1
CA A:THR179 4.6 7.5 0.2
N A:VAL177 4.6 12.1 0.1
HG13 A:VAL198 4.6 16.1 0.3
CB A:VAL198 4.6 10.9 0.1
HA A:VAL198 4.6 16.0 0.3
CG2 A:VAL177 4.6 15.7 0.2
CA A:VAL198 4.6 11.0 0.1
N A:CYS178 4.6 10.2 0.2
HA A:VAL198 4.6 15.4 0.1
N A:CYS178 4.6 11.0 0.1
N A:VAL177 4.6 15.7 0.2
N A:VAL177 4.6 8.7 0.3
CG2 A:VAL177 4.6 11.7 0.1
CA A:VAL177 4.7 11.4 0.1
HG13 A:VAL198 4.7 15.8 0.1
O A:HOH565 4.7 47.6 1.0
CA A:CYS178 4.7 10.5 0.1
N A:SER176 4.7 12.5 0.2
HG21 A:THR179 4.7 12.2 0.2
OD1 A:ASP200 4.7 9.2 0.1
C A:CYS178 4.7 10.7 0.1
C A:CYS178 4.7 9.1 0.2
CB A:VAL198 4.7 12.2 0.1
CB A:VAL198 4.7 13.5 0.3
CB A:VAL198 4.7 13.9 0.3
CA A:CYS178 4.7 9.4 0.2
CA A:VAL198 4.8 11.9 0.1
CB A:VAL198 4.8 18.6 0.2
CA A:VAL177 4.8 9.9 0.1
CA A:VAL198 4.8 18.6 0.2
CA A:VAL198 4.8 12.1 0.3
N A:CYS178 4.8 9.3 0.2
C A:CYS178 4.8 8.4 0.2
C A:CYS178 4.8 8.0 0.3
CB A:VAL198 4.8 13.2 0.1
CA A:VAL177 4.8 15.9 0.2
HA A:LEU199 4.8 12.2 0.2
H A:GLU174 4.8 13.2 0.3
CA A:VAL198 4.8 13.4 0.3
CA A:VAL177 4.8 10.3 0.3
N A:SER176 4.8 11.5 0.3
CA A:VAL177 4.8 11.9 0.1
CA A:CYS178 4.8 9.1 0.2
N A:SER176 4.8 12.7 0.1
CG2 A:THR179 4.8 10.2 0.2
N A:CYS178 4.8 7.3 0.3
HG21 A:THR179 4.8 10.4 0.3
C A:CYS178 4.9 8.9 0.2
HA A:LEU199 4.9 13.5 0.1
CA A:CYS178 4.9 7.7 0.3
CG2 A:THR179 4.9 8.6 0.3
N A:SER176 4.9 13.5 0.2
HG21 A:VAL177 4.9 10.8 0.3
N A:CYS178 4.9 9.6 0.2
CA A:VAL198 4.9 12.9 0.1
CB A:PRO175 4.9 13.0 0.1
H A:ASP200 4.9 11.4 0.3
HB3 A:PRO175 4.9 15.6 0.1
N A:GLU174 4.9 11.0 0.3
N A:SER176 4.9 9.3 0.2
CG2 A:VAL177 4.9 5.8 0.3
CB A:PRO175 4.9 13.8 0.2
HG13 A:VAL198 4.9 14.6 0.1
CA A:VAL177 4.9 7.5 0.3
HB3 A:PRO175 4.9 16.5 0.2
CA A:CYS178 5.0 9.4 0.2
HG21 A:VAL177 5.0 14.3 0.1
HA A:THR179 5.0 9.6 0.3
HG21 A:THR179 5.0 9.5 0.2
N A:GLU174 5.0 8.1 0.2
HA A:THR179 5.0 9.8 0.2

Calcium binding site 3 out of 6 in 8sog

Go back to Calcium Binding Sites List in 8sog
Calcium binding site 3 out of 6 in the Proteinase K Multiconformer Model at 313K


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Proteinase K Multiconformer Model at 313K within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca302

b:24.3
occ:0.31
 CA A:CA302 0.0 24.3 0.3
O A:HOH474 0.2 23.9 0.1
O A:HOH474 0.8 23.1 0.2
O A:HOH474 1.4 19.5 0.1
O A:HOH474 1.6 24.4 0.1
CA A:CA302 2.1 9.4 0.3
O A:HOH565 2.6 47.6 1.0
O A:VAL177 2.6 9.8 0.3
O A:VAL177 2.7 11.8 0.1
OD1 A:ASP200 2.8 10.2 0.3
O A:HOH607 2.8 45.1 1.0
O A:VAL177 2.9 11.0 0.1
O A:PRO175 2.9 13.2 0.2
OD2 A:ASP200 3.0 10.7 0.1
O A:PRO175 3.0 12.7 0.1
O A:VAL177 3.0 16.2 0.2
O A:VAL177 3.2 5.8 0.3
O A:PRO175 3.2 9.2 0.2
O A:HOH419 3.2 39.6 1.0
O A:PRO175 3.2 13.4 0.3
OD2 A:ASP200 3.2 9.7 0.1
OD1 A:ASP200 3.3 9.2 0.1
O A:VAL177 3.3 9.2 0.1
OD2 A:ASP200 3.3 11.1 0.1
O A:PRO175 3.4 13.1 0.2
OD1 A:ASP200 3.4 12.6 0.3
CG A:ASP200 3.5 9.5 0.3
OD1 A:ASP200 3.5 11.2 0.1
CG A:ASP200 3.5 9.3 0.1
OD1 A:ASP200 3.5 7.9 0.2
CG A:ASP200 3.6 10.7 0.1
OD2 A:ASP200 3.6 11.7 0.3
CG A:ASP200 3.6 11.1 0.1
OD2 A:ASP200 3.6 9.1 0.3
OD2 A:ASP200 3.6 7.9 0.2
CG A:ASP200 3.7 11.8 0.3
HA A:CYS178 3.7 11.3 0.2
CG A:ASP200 3.7 7.9 0.2
HA A:CYS178 3.7 9.2 0.3
C A:VAL177 3.7 10.9 0.1
OD1 A:ASP200 3.8 10.8 0.1
C A:VAL177 3.8 9.5 0.3
HA A:CYS178 3.8 12.6 0.1
SG A:CYS249 3.8 13.3 0.3
O A:HOH596 3.8 17.4 0.1
C A:VAL177 3.8 11.5 0.1
HA A:SER176 3.8 12.0 0.2
HB3 A:CYS249 3.8 13.9 0.2
SG A:CYS249 3.8 11.5 0.2
C A:VAL177 3.9 6.7 0.3
HA A:CYS178 3.9 10.9 0.2
HB3 A:CYS249 3.9 12.2 0.3
C A:VAL177 3.9 9.6 0.1
HA A:CYS178 3.9 11.2 0.2
C A:VAL177 3.9 16.1 0.2
CA A:CA302 3.9 18.7 0.1
SG A:CYS249 3.9 11.2 0.1
O A:SER176 4.0 13.1 0.2
O A:HOH474 4.0 18.3 0.3
O A:SER176 4.0 12.5 0.1
SG A:CYS249 4.0 10.5 0.3
HA A:SER176 4.1 14.6 0.2
C A:SER176 4.1 12.8 0.2
HB3 A:CYS249 4.1 15.5 0.3
HA A:SER176 4.1 16.3 0.2
N A:VAL177 4.1 11.7 0.1
C A:SER176 4.1 12.4 0.1
O A:SER176 4.1 10.5 0.3
C A:PRO175 4.1 13.3 0.2
HB3 A:CYS249 4.2 13.6 0.1
C A:PRO175 4.2 12.7 0.1
O A:HOH596 4.2 68.4 0.3
C A:SER176 4.2 9.8 0.3
CA A:CA302 4.2 82.0 0.2
HA A:SER176 4.2 15.2 0.1
O A:HOH596 4.2 8.8 0.1
H A:VAL177 4.2 14.1 0.1
C A:SER176 4.2 10.3 0.2
C A:SER176 4.3 11.9 0.2
N A:VAL177 4.3 10.2 0.1
C A:PRO175 4.3 12.1 0.3
CA A:CA302 4.3 14.9 0.1
C A:PRO175 4.3 8.9 0.2
CB A:CYS249 4.4 11.6 0.2
N A:VAL177 4.4 8.7 0.3
HA A:SER176 4.4 13.1 0.3
CA A:CA302 4.4 16.7 0.1
N A:VAL177 4.4 11.7 0.3
O A:HOH596 4.4 45.4 0.3
CA A:VAL177 4.4 11.4 0.1
CA A:SER176 4.4 10.0 0.2
H A:VAL177 4.5 12.2 0.1
CB A:CYS249 4.5 12.9 0.3
HA A:VAL177 4.5 13.7 0.1
N A:VAL177 4.5 12.1 0.1
O A:HOH572 4.5 51.5 1.0
CB A:CYS249 4.5 10.2 0.3
N A:CYS178 4.5 9.6 0.2
CA A:CYS178 4.5 9.4 0.2
C A:PRO175 4.5 12.6 0.2
O A:HOH596 4.5 25.5 0.1
CA A:SER176 4.5 13.6 0.2
CA A:CYS178 4.5 7.7 0.3
O A:HOH474 4.5 16.0 0.3
HB3 A:ASP200 4.6 9.4 0.2
N A:CYS178 4.6 7.3 0.3
N A:VAL177 4.6 15.7 0.2
CA A:CYS178 4.6 10.5 0.1
N A:CYS178 4.6 10.2 0.2
HB3 A:ASP200 4.6 12.8 0.1
O A:HOH596 4.6 25.0 0.2
N A:CYS178 4.6 11.0 0.1
N A:CYS178 4.6 9.3 0.2
CA A:VAL177 4.6 7.5 0.3
CB A:CYS249 4.6 11.3 0.1
CA A:SER176 4.6 12.1 0.2
CA A:SER176 4.6 12.7 0.1
O A:SER176 4.6 11.2 0.2
CA A:CYS178 4.6 9.1 0.2
HB2 A:CYS249 4.7 13.9 0.2
CA A:VAL177 4.7 9.9 0.1
CA A:CYS178 4.7 9.4 0.2
HA A:VAL177 4.7 9.0 0.3
CB A:ASP200 4.7 10.7 0.1
H A:VAL177 4.7 10.5 0.3
CA A:VAL177 4.7 10.3 0.3
O A:SER176 4.7 12.2 0.2
HB2 A:CYS249 4.7 15.5 0.3
HB3 A:ASP200 4.7 13.2 0.1
HB3 A:ASP200 4.7 11.3 0.3
CA A:VAL177 4.7 11.9 0.1
CA A:SER176 4.7 10.9 0.3
CB A:ASP200 4.7 11.0 0.1
CB A:ASP200 4.7 9.4 0.3
CB A:ASP200 4.8 7.8 0.2
CA A:VAL177 4.8 15.9 0.2
H A:VAL177 4.8 14.0 0.3
CB A:ASP200 4.8 9.5 0.1
HB2 A:CYS178 4.8 11.9 0.1
HA A:VAL177 4.8 11.9 0.1
N A:SER176 4.8 13.5 0.2
HB2 A:CYS249 4.8 12.2 0.3
HB3 A:ASP200 4.9 14.2 0.3
N A:SER176 4.9 9.3 0.2
H A:VAL177 4.9 14.6 0.1
N A:SER176 4.9 12.7 0.1
H A:THR179 4.9 9.9 0.2
HB3 A:ASP200 4.9 11.4 0.1
H A:THR179 4.9 9.7 0.3
CB A:ASP200 4.9 11.8 0.3
HB2 A:CYS249 4.9 13.6 0.1
N A:SER176 5.0 11.5 0.3
HB2 A:ASP200 5.0 13.2 0.1
HA A:VAL177 5.0 19.1 0.2
HB2 A:ASP200 5.0 12.8 0.1
HA A:PRO175 5.0 14.1 0.3
HA A:VAL177 5.0 12.3 0.3
HA A:VAL177 5.0 14.2 0.1
HA A:PRO175 5.0 15.4 0.1

Calcium binding site 4 out of 6 in 8sog

Go back to Calcium Binding Sites List in 8sog
Calcium binding site 4 out of 6 in the Proteinase K Multiconformer Model at 313K


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Proteinase K Multiconformer Model at 313K within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca302

b:14.9
occ:0.06
 CA A:CA302 0.0 14.9 0.1
CA A:CA302 0.2 16.7 0.1
O A:HOH474 0.3 16.0 0.3
O A:HOH596 0.4 25.5 0.1
O A:HOH474 0.4 18.3 0.3
O A:HOH596 0.6 25.0 0.2
CA A:CA302 2.4 9.4 0.3
HG1 A:THR179 2.5 12.6 0.2
OG1 A:THR179 2.5 8.7 0.2
O A:VAL177 2.6 9.2 0.1
O A:VAL177 2.6 11.0 0.1
O A:VAL177 2.7 5.8 0.3
O A:VAL177 2.7 16.2 0.2
O A:HOH596 2.7 8.8 0.1
O A:GLU174 2.8 12.9 0.1
OG1 A:THR179 2.8 10.5 0.2
OD2 A:ASP200 2.8 7.9 0.2
O A:HOH474 2.8 24.4 0.1
CA A:CA302 2.8 18.7 0.1
O A:GLU174 2.8 13.7 0.2
HA A:PRO175 2.9 15.4 0.1
OD2 A:ASP200 2.9 11.7 0.3
HG22 A:VAL198 2.9 13.6 0.1
HG13 A:VAL198 2.9 17.7 0.3
O A:GLU174 2.9 8.6 0.2
HG1 A:THR179 2.9 9.9 0.2
O A:HOH596 2.9 17.4 0.1
O A:GLU174 2.9 11.3 0.3
HA A:PRO175 2.9 16.2 0.2
HG1 A:THR179 2.9 13.3 0.1
OG1 A:THR179 2.9 8.2 0.2
OG1 A:THR179 3.0 11.1 0.1
O A:HOH474 3.0 19.5 0.1
O A:GLU174 3.0 12.7 0.2
HG22 A:VAL198 3.0 17.2 0.3
HA A:PRO175 3.0 14.1 0.3
OD2 A:ASP200 3.0 11.1 0.1
OD2 A:ASP200 3.0 9.7 0.1
HG22 A:VAL198 3.0 16.0 0.1
HG22 A:VAL198 3.1 14.8 0.1
OD2 A:ASP200 3.1 10.7 0.1
OD2 A:ASP200 3.1 9.1 0.3
HG1 A:THR179 3.1 9.7 0.3
O A:VAL177 3.1 11.8 0.1
HG22 A:VAL198 3.2 22.9 0.2
HB A:THR179 3.2 9.9 0.3
H A:THR179 3.2 12.9 0.1
OG1 A:THR179 3.2 8.1 0.3
O A:VAL198 3.2 10.4 0.1
O A:HOH596 3.2 45.4 0.3
HA A:PRO175 3.2 14.8 0.2
O A:PRO175 3.2 13.1 0.2
O A:VAL198 3.2 12.2 0.3
O A:VAL177 3.2 9.8 0.3
O A:PRO175 3.3 9.2 0.2
O A:HOH596 3.3 68.4 0.3
CA A:CA302 3.3 82.0 0.2
H A:THR179 3.3 9.7 0.3
O A:VAL198 3.4 11.7 0.1
HG22 A:VAL177 3.4 10.8 0.3
O A:VAL198 3.4 12.3 0.1
O A:PRO175 3.4 13.2 0.2
O A:VAL198 3.4 11.9 0.3
H A:THR179 3.4 9.3 0.2
HB A:THR179 3.4 10.6 0.2
HG23 A:VAL198 3.4 22.9 0.2
H A:VAL177 3.4 14.1 0.1
O A:PRO175 3.4 12.7 0.1
HB A:THR179 3.5 12.0 0.2
O A:VAL198 3.5 19.0 0.2
HA A:PRO175 3.5 10.6 0.2
HG23 A:VAL198 3.5 14.8 0.1
CB A:THR179 3.5 8.8 0.2
H A:THR179 3.6 9.9 0.2
C A:VAL177 3.6 10.9 0.1
HG22 A:VAL177 3.6 14.3 0.1
CA A:PRO175 3.6 12.8 0.1
H A:THR179 3.6 11.0 0.2
HG23 A:VAL177 3.6 14.3 0.1
HB A:THR179 3.6 13.2 0.1
CG1 A:VAL198 3.7 14.8 0.3
C A:VAL177 3.7 16.1 0.2
CB A:THR179 3.7 8.3 0.3
HB A:THR179 3.7 9.2 0.2
C A:PRO175 3.7 12.6 0.2
CB A:THR179 3.7 10.0 0.2
CG2 A:VAL198 3.7 11.3 0.1
H A:VAL177 3.7 12.2 0.1
CA A:PRO175 3.7 13.5 0.2
HG23 A:VAL198 3.7 13.6 0.1
CG2 A:VAL198 3.7 19.1 0.2
CG2 A:VAL198 3.7 12.3 0.1
C A:PRO175 3.7 12.7 0.1
CG A:ASP200 3.7 7.9 0.2
C A:VAL177 3.7 9.6 0.1
C A:PRO175 3.7 13.3 0.2
HG23 A:VAL177 3.8 18.8 0.2
HG23 A:VAL177 3.8 12.2 0.1
HG23 A:VAL177 3.8 10.8 0.3
CA A:PRO175 3.8 11.7 0.3
HG12 A:VAL198 3.8 17.7 0.3
C A:VAL177 3.8 6.7 0.3
C A:GLU174 3.8 12.8 0.1
C A:VAL177 3.8 11.5 0.1
N A:THR179 3.8 10.8 0.1
CB A:THR179 3.8 11.0 0.1
CA A:PRO175 3.8 12.3 0.2
C A:GLU174 3.8 11.0 0.3
HG23 A:VAL177 3.8 14.0 0.1
CB A:THR179 3.8 7.7 0.2
C A:PRO175 3.9 8.9 0.2
CG2 A:VAL198 3.9 14.4 0.3
CG2 A:VAL198 3.9 13.3 0.1
N A:THR179 3.9 8.0 0.3
O A:PRO175 3.9 13.4 0.3
C A:GLU174 3.9 13.2 0.2
HG11 A:VAL198 3.9 17.7 0.3
HG23 A:VAL198 3.9 16.0 0.1
CG A:ASP200 3.9 11.8 0.3
C A:VAL177 3.9 9.5 0.3
CG A:ASP200 3.9 10.7 0.1
C A:PRO175 3.9 12.1 0.3
OD1 A:ASP200 3.9 7.9 0.2
N A:THR179 3.9 7.7 0.2
C A:GLU174 4.0 8.2 0.2
O A:ALA172 4.0 11.4 0.2
HG23 A:VAL198 4.0 17.2 0.3
H A:VAL177 4.0 10.5 0.3
N A:THR179 4.0 9.1 0.2
O A:ALA172 4.0 8.6 0.2
H A:VAL177 4.0 14.0 0.3
N A:THR179 4.0 8.3 0.2
HA A:CYS178 4.0 12.6 0.1
CG2 A:VAL177 4.0 9.0 0.3
C A:GLU174 4.0 12.2 0.2
HG22 A:VAL177 4.0 12.2 0.1
O A:ALA172 4.1 12.6 0.1
H A:VAL177 4.1 14.6 0.1
CA A:PRO175 4.1 8.9 0.2
CG A:ASP200 4.1 9.5 0.3
CG A:ASP200 4.1 11.1 0.1
CG2 A:VAL177 4.1 11.9 0.1
N A:VAL177 4.1 11.7 0.1
HA A:CYS178 4.1 11.2 0.2
O A:ALA172 4.1 11.5 0.2
HG21 A:VAL198 4.2 13.6 0.1
HG22 A:VAL177 4.2 14.0 0.1
HG21 A:VAL198 4.2 22.9 0.2
CG A:ASP200 4.2 9.3 0.1
OD1 A:ASP200 4.2 10.8 0.1
HG22 A:VAL177 4.2 18.8 0.2
HG21 A:VAL198 4.2 14.8 0.1
N A:PRO175 4.2 12.8 0.1
HA A:CYS178 4.2 9.2 0.3
HA A:CYS178 4.2 10.9 0.2
O A:HOH474 4.2 23.1 0.2
O A:HOH474 4.2 23.9 0.1
OD1 A:ASP200 4.3 12.6 0.3
N A:VAL177 4.3 10.2 0.1
HG23 A:VAL177 4.3 7.0 0.3
N A:PRO175 4.3 11.1 0.3
HG21 A:VAL198 4.3 17.2 0.3
HG22 A:VAL177 4.3 7.0 0.3
HG21 A:VAL198 4.3 16.0 0.1
N A:PRO175 4.3 13.3 0.2
CA A:CA302 4.3 24.3 0.3
C A:VAL198 4.3 10.4 0.1
O A:ALA172 4.3 10.8 0.3
CG2 A:VAL177 4.4 10.1 0.1
HA A:CYS178 4.4 11.3 0.2
OD1 A:ASP200 4.4 10.2 0.3
N A:VAL177 4.4 11.7 0.3
N A:VAL177 4.4 12.1 0.1
CA A:THR179 4.4 8.0 0.3
C A:VAL198 4.4 12.0 0.3
C A:VAL198 4.4 11.6 0.1
CG2 A:VAL177 4.4 15.7 0.2
N A:CYS178 4.4 10.2 0.2
CA A:THR179 4.4 8.2 0.2
N A:CYS178 4.4 11.0 0.1
N A:VAL177 4.4 15.7 0.2
HG21 A:THR179 4.4 10.5 0.2
N A:VAL177 4.4 8.7 0.3
CA A:VAL177 4.5 11.4 0.1
CG2 A:VAL177 4.5 11.7 0.1
N A:PRO175 4.5 12.3 0.2
C A:VAL198 4.5 11.3 0.3
OD1 A:ASP200 4.5 11.2 0.1
CA A:THR179 4.5 9.5 0.2
CA A:THR179 4.5 10.9 0.1
N A:PRO175 4.5 8.3 0.2
C A:VAL198 4.5 18.7 0.2
HA A:VAL198 4.5 13.2 0.1
C A:VAL198 4.5 12.1 0.1
CA A:THR179 4.5 7.5 0.2
CA A:CYS178 4.5 10.5 0.1
CA A:VAL177 4.6 9.9 0.1
CA A:VAL177 4.6 15.9 0.2
N A:SER176 4.6 12.5 0.2
N A:CYS178 4.6 9.3 0.2
C A:CYS178 4.6 9.1 0.2
C A:CYS178 4.6 10.7 0.1
CA A:CYS178 4.6 9.4 0.2
CG2 A:THR179 4.6 8.7 0.2
CA A:VAL177 4.6 10.3 0.3
CA A:VAL177 4.6 11.9 0.1
N A:CYS178 4.6 7.3 0.3
C A:CYS178 4.7 8.4 0.2
C A:CYS178 4.7 8.0 0.3
HA A:VAL198 4.7 22.3 0.2
CA A:CYS178 4.7 9.1 0.2
N A:CYS178 4.7 9.6 0.2
HG21 A:VAL177 4.7 10.8 0.3
N A:SER176 4.7 11.5 0.3
CA A:CYS178 4.7 7.7 0.3
O A:HOH565 4.7 47.6 1.0
N A:SER176 4.7 12.7 0.1
HG13 A:VAL198 4.7 13.0 0.1
C A:CYS178 4.7 8.9 0.2
CG2 A:VAL177 4.7 5.8 0.3
CA A:VAL177 4.7 7.5 0.3
HA A:VAL198 4.7 14.3 0.1
N A:SER176 4.8 13.5 0.2
HG13 A:VAL198 4.8 16.1 0.3
OD1 A:ASP200 4.8 9.2 0.1
HA A:VAL198 4.8 14.5 0.3
H A:GLU174 4.8 13.2 0.3
HG21 A:THR179 4.8 12.2 0.2
CB A:VAL198 4.8 10.9 0.1
HG21 A:VAL177 4.8 14.3 0.1
N A:SER176 4.8 9.3 0.2
HA A:VAL198 4.8 16.0 0.3
CA A:CYS178 4.8 9.4 0.2
CA A:VAL198 4.8 11.0 0.1
HA A:VAL198 4.8 15.4 0.1
HG13 A:VAL198 4.9 15.8 0.1
CG2 A:THR179 4.9 10.2 0.2
N A:GLU174 4.9 11.0 0.3
HA A:THR179 4.9 9.6 0.3
CB A:PRO175 4.9 13.0 0.1
HG21 A:THR179 4.9 10.4 0.3
CB A:VAL198 4.9 13.5 0.3
CG2 A:THR179 4.9 8.6 0.3
CB A:VAL198 4.9 12.2 0.1
CB A:VAL198 4.9 13.9 0.3
HA A:THR179 4.9 9.8 0.2
HA A:LEU199 4.9 12.2 0.2
N A:GLU174 4.9 8.1 0.2
CB A:VAL198 5.0 18.6 0.2
H A:ASP200 5.0 11.4 0.3
CB A:PRO175 5.0 13.8 0.2
CA A:VAL198 5.0 11.9 0.1
HA A:THR179 5.0 11.4 0.2
HB3 A:PRO175 5.0 15.6 0.1
CB A:VAL177 5.0 10.1 0.3
CA A:VAL198 5.0 18.6 0.2
HA A:THR179 5.0 13.1 0.1
CB A:VAL198 5.0 13.2 0.1
HA A:LEU199 5.0 13.5 0.1
CA A:VAL198 5.0 12.1 0.3
H A:SER176 5.0 13.8 0.3
CA A:GLU174 5.0 11.2 0.3

Calcium binding site 5 out of 6 in 8sog

Go back to Calcium Binding Sites List in 8sog
Calcium binding site 5 out of 6 in the Proteinase K Multiconformer Model at 313K


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of Proteinase K Multiconformer Model at 313K within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca302

b:18.7
occ:0.06
 CA A:CA302 0.0 18.7 0.1
O A:HOH596 0.2 17.4 0.1
O A:HOH596 0.5 68.4 0.3
O A:HOH596 0.5 8.8 0.1
O A:HOH596 0.6 45.4 0.3
CA A:CA302 0.6 82.0 0.2
CA A:CA302 2.3 9.4 0.3
O A:HOH474 2.6 24.4 0.1
O A:HOH474 2.7 19.5 0.1
CA A:CA302 2.7 16.7 0.1
OD1 A:ASP200 2.7 7.9 0.2
O A:HOH565 2.8 47.6 1.0
O A:HOH474 2.8 18.3 0.3
CA A:CA302 2.8 14.9 0.1
OD1 A:ASP200 2.9 10.8 0.1
HA A:PRO175 2.9 14.1 0.3
HA A:PRO175 2.9 15.4 0.1
O A:VAL198 3.0 11.7 0.1
HA A:PRO175 3.0 16.2 0.2
O A:HOH474 3.0 16.0 0.3
O A:HOH596 3.1 25.5 0.1
OD1 A:ASP200 3.1 11.2 0.1
O A:PRO175 3.1 13.1 0.2
O A:VAL198 3.2 11.9 0.3
OD1 A:ASP200 3.2 12.6 0.3
O A:VAL198 3.2 12.3 0.1
O A:PRO175 3.3 9.2 0.2
O A:HOH596 3.3 25.0 0.2
HA A:PRO175 3.3 14.8 0.2
HG23 A:VAL198 3.3 17.2 0.3
O A:VAL198 3.3 19.0 0.2
HA A:PRO175 3.3 10.6 0.2
OD2 A:ASP200 3.3 11.1 0.1
O A:PRO175 3.3 13.2 0.2
HG23 A:VAL198 3.4 14.8 0.1
O A:VAL198 3.4 12.2 0.3
OD2 A:ASP200 3.4 9.7 0.1
O A:PRO175 3.4 12.7 0.1
HG23 A:VAL198 3.4 16.0 0.1
HA A:VAL198 3.4 13.2 0.1
OD1 A:ASP200 3.4 10.2 0.3
HG22 A:VAL198 3.4 17.2 0.3
OD2 A:ASP200 3.4 10.7 0.1
HA A:VAL198 3.4 14.3 0.1
O A:VAL198 3.4 10.4 0.1
HG13 A:VAL198 3.4 17.7 0.3
HG23 A:VAL198 3.5 22.9 0.2
HA A:VAL198 3.5 16.0 0.3
OD2 A:ASP200 3.5 11.7 0.3
HA A:VAL198 3.5 22.3 0.2
CG A:ASP200 3.5 7.9 0.2
OD2 A:ASP200 3.5 7.9 0.2
HA A:VAL198 3.5 15.4 0.1
HG23 A:VAL198 3.5 13.6 0.1
CG A:ASP200 3.5 10.7 0.1
O A:PRO175 3.6 13.4 0.3
HG22 A:VAL198 3.6 16.0 0.1
CG A:ASP200 3.6 11.1 0.1
OD1 A:ASP200 3.6 9.2 0.1
HA A:VAL198 3.6 14.5 0.3
OD2 A:ASP200 3.7 9.1 0.3
CG A:ASP200 3.7 11.8 0.3
CA A:PRO175 3.7 12.8 0.1
HG22 A:VAL198 3.8 13.6 0.1
CA A:PRO175 3.8 11.7 0.3
CA A:PRO175 3.8 13.5 0.2
O A:HOH474 3.8 23.9 0.1
HB3 A:PRO175 3.8 14.2 0.3
CG2 A:VAL198 3.8 14.4 0.3
CG A:ASP200 3.8 9.3 0.1
CG A:ASP200 3.9 9.5 0.3
HG22 A:VAL198 3.9 14.8 0.1
C A:VAL198 3.9 11.6 0.1
CA A:CA302 3.9 24.3 0.3
CG2 A:VAL198 3.9 13.3 0.1
C A:PRO175 4.0 12.6 0.2
HB3 A:PRO175 4.0 15.6 0.1
C A:VAL198 4.0 12.0 0.3
C A:PRO175 4.0 12.7 0.1
CA A:PRO175 4.0 12.3 0.2
HB3 A:PRO175 4.0 16.5 0.2
C A:PRO175 4.0 13.3 0.2
C A:VAL198 4.0 12.1 0.1
CG2 A:VAL198 4.0 12.3 0.1
O A:HOH472 4.1 46.2 1.0
C A:VAL198 4.1 11.3 0.3
C A:VAL198 4.1 10.4 0.1
HG22 A:VAL198 4.1 22.9 0.2
CG2 A:VAL198 4.1 11.3 0.1
C A:PRO175 4.1 12.1 0.3
C A:PRO175 4.1 8.9 0.2
CA A:VAL198 4.1 11.9 0.1
C A:VAL198 4.1 18.7 0.2
CA A:PRO175 4.1 8.9 0.2
HB3 A:PRO175 4.1 14.7 0.2
CA A:VAL198 4.2 13.4 0.3
CA A:VAL198 4.2 11.0 0.1
HB2 A:PRO175 4.2 15.6 0.1
CG2 A:VAL198 4.2 19.1 0.2
CB A:PRO175 4.2 13.0 0.1
CA A:VAL198 4.2 12.9 0.1
CA A:VAL198 4.2 18.6 0.2
CB A:PRO175 4.3 13.8 0.2
HB2 A:PRO175 4.3 16.5 0.2
CA A:VAL198 4.3 12.1 0.3
O A:HOH474 4.3 23.1 0.2
CB A:PRO175 4.3 11.8 0.3
O A:VAL177 4.3 11.0 0.1
CG1 A:VAL198 4.4 14.8 0.3
O A:VAL177 4.5 16.2 0.2
O A:VAL177 4.5 9.2 0.1
O A:VAL177 4.5 5.8 0.3
HG21 A:VAL198 4.6 17.2 0.3
O A:SER197 4.6 13.3 0.2
HB3 A:PRO175 4.6 11.2 0.2
O A:VAL177 4.6 11.8 0.1
CB A:PRO175 4.6 12.3 0.2
CB A:VAL198 4.6 13.9 0.3
O A:VAL177 4.7 9.8 0.3
HG21 A:VAL198 4.7 16.0 0.1
O A:SER197 4.7 12.1 0.1
HG3 A:PRO175 4.7 13.8 0.3
O A:GLU174 4.7 12.9 0.1
CB A:VAL198 4.7 13.2 0.1
HG22 A:VAL198 4.7 16.4 0.3
O A:GLU174 4.8 8.6 0.2
CB A:VAL198 4.8 12.2 0.1
O A:GLU174 4.8 13.7 0.2
CB A:VAL198 4.8 10.9 0.1
HG21 A:VAL198 4.8 14.8 0.1
O A:GLU174 4.8 11.3 0.3
O A:SER197 4.8 11.6 0.3
CB A:VAL198 4.9 18.6 0.2
O A:SER197 4.9 15.5 0.2
HG11 A:VAL198 4.9 17.7 0.3
HG21 A:VAL198 4.9 13.6 0.1
HB A:THR179 4.9 9.9 0.3
HG1 A:THR179 4.9 12.6 0.2
HG12 A:VAL198 4.9 17.7 0.3
O A:LEU199 4.9 10.4 0.2
O A:LEU199 4.9 9.6 0.2
CB A:VAL198 4.9 13.5 0.3
N A:PRO175 4.9 11.1 0.3
O A:GLU174 4.9 12.7 0.2
CB A:ASP200 4.9 7.8 0.2
HB A:THR179 4.9 10.6 0.2
HG21 A:VAL198 4.9 22.9 0.2
N A:PRO175 4.9 12.8 0.1
O A:LEU199 5.0 11.7 0.3
CB A:ASP200 5.0 10.7 0.1
CB A:PRO175 5.0 9.3 0.2
N A:LEU199 5.0 11.2 0.2

Calcium binding site 6 out of 6 in 8sog

Go back to Calcium Binding Sites List in 8sog
Calcium binding site 6 out of 6 in the Proteinase K Multiconformer Model at 313K


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 6 of Proteinase K Multiconformer Model at 313K within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca302

b:82.0
occ:0.18
 CA A:CA302 0.0 82.0 0.2
O A:HOH596 0.4 68.4 0.3
CA A:CA302 0.6 18.7 0.1
O A:HOH596 0.6 45.4 0.3
O A:HOH596 0.6 8.8 0.1
O A:HOH596 0.7 17.4 0.1
OD1 A:ASP200 2.6 7.9 0.2
OD1 A:ASP200 2.7 10.8 0.1
CA A:CA302 2.7 9.4 0.3
O A:HOH565 2.8 47.6 1.0
O A:VAL198 2.8 11.7 0.1
OD1 A:ASP200 2.9 11.2 0.1
O A:HOH474 3.0 24.4 0.1
OD1 A:ASP200 3.0 12.6 0.3
O A:HOH474 3.0 19.5 0.1
O A:VAL198 3.1 11.9 0.3
O A:VAL198 3.1 12.3 0.1
CA A:CA302 3.2 16.7 0.1
O A:VAL198 3.2 19.0 0.2
HA A:VAL198 3.2 16.0 0.3
HA A:VAL198 3.2 14.3 0.1
HA A:VAL198 3.2 13.2 0.1
O A:HOH474 3.2 18.3 0.3
HA A:VAL198 3.3 15.4 0.1
HA A:VAL198 3.3 22.3 0.2
CA A:CA302 3.3 14.9 0.1
O A:VAL198 3.3 12.2 0.3
OD1 A:ASP200 3.3 10.2 0.3
HG23 A:VAL198 3.4 17.2 0.3
HA A:PRO175 3.4 14.1 0.3
O A:VAL198 3.4 10.4 0.1
HA A:PRO175 3.4 15.4 0.1
HA A:VAL198 3.4 14.5 0.3
OD2 A:ASP200 3.5 11.1 0.1
CG A:ASP200 3.5 7.9 0.2
OD1 A:ASP200 3.5 9.2 0.1
CG A:ASP200 3.5 10.7 0.1
OD2 A:ASP200 3.5 9.7 0.1
O A:HOH596 3.5 25.5 0.1
CG A:ASP200 3.5 11.1 0.1
HG23 A:VAL198 3.5 14.8 0.1
O A:HOH474 3.5 16.0 0.3
O A:HOH472 3.5 46.2 1.0
HA A:PRO175 3.5 16.2 0.2
HG23 A:VAL198 3.5 16.0 0.1
OD2 A:ASP200 3.6 10.7 0.1
O A:PRO175 3.6 13.1 0.2
HG22 A:VAL198 3.6 17.2 0.3
OD2 A:ASP200 3.6 11.7 0.3
HG13 A:VAL198 3.6 17.7 0.3
HG23 A:VAL198 3.6 22.9 0.2
CG A:ASP200 3.6 11.8 0.3
OD2 A:ASP200 3.7 7.9 0.2
O A:HOH596 3.7 25.0 0.2
HG23 A:VAL198 3.7 13.6 0.1
C A:VAL198 3.7 11.6 0.1
HA A:PRO175 3.7 14.8 0.2
O A:PRO175 3.8 9.2 0.2
HG22 A:VAL198 3.8 16.0 0.1
CG A:ASP200 3.8 9.3 0.1
HA A:PRO175 3.8 10.6 0.2
OD2 A:ASP200 3.8 9.1 0.3
C A:VAL198 3.8 12.0 0.3
C A:VAL198 3.8 12.1 0.1
O A:PRO175 3.8 13.2 0.2
CG A:ASP200 3.9 9.5 0.3
O A:PRO175 3.9 12.7 0.1
C A:VAL198 3.9 11.3 0.3
C A:VAL198 3.9 10.4 0.1
CA A:VAL198 3.9 11.9 0.1
CG2 A:VAL198 4.0 14.4 0.3
CA A:VAL198 4.0 13.4 0.3
C A:VAL198 4.0 18.7 0.2
HG22 A:VAL198 4.0 13.6 0.1
CA A:VAL198 4.0 12.9 0.1
CA A:VAL198 4.0 11.0 0.1
O A:PRO175 4.0 13.4 0.3
CA A:VAL198 4.1 18.6 0.2
O A:HOH474 4.1 23.9 0.1
HB3 A:PRO175 4.1 14.2 0.3
HG22 A:VAL198 4.1 14.8 0.1
CG2 A:VAL198 4.1 13.3 0.1
CA A:VAL198 4.1 12.1 0.3
O A:SER197 4.1 13.3 0.2
CG2 A:VAL198 4.2 12.3 0.1
CA A:CA302 4.2 24.3 0.3
CA A:PRO175 4.2 12.8 0.1
HB3 A:PRO175 4.3 15.6 0.1
O A:SER197 4.3 12.1 0.1
HG22 A:VAL198 4.3 22.9 0.2
CG2 A:VAL198 4.3 11.3 0.1
CA A:PRO175 4.3 11.7 0.3
CA A:PRO175 4.3 13.5 0.2
HB3 A:PRO175 4.3 16.5 0.2
CG2 A:VAL198 4.4 19.1 0.2
O A:SER197 4.4 11.6 0.3
O A:SER197 4.4 15.5 0.2
HB3 A:PRO175 4.4 14.7 0.2
O A:LEU199 4.5 10.4 0.2
CA A:PRO175 4.5 12.3 0.2
C A:PRO175 4.5 12.6 0.2
HB2 A:PRO175 4.5 15.6 0.1
O A:LEU199 4.5 9.6 0.2
C A:PRO175 4.5 12.7 0.1
C A:PRO175 4.5 13.3 0.2
O A:SER197 4.5 13.8 0.2
CB A:PRO175 4.6 13.0 0.1
CG1 A:VAL198 4.6 14.8 0.3
O A:LEU199 4.6 11.7 0.3
HB2 A:PRO175 4.6 16.5 0.2
C A:PRO175 4.6 12.1 0.3
CA A:PRO175 4.6 8.9 0.2
CB A:VAL198 4.6 13.9 0.3
C A:PRO175 4.6 8.9 0.2
CB A:PRO175 4.6 13.8 0.2
O A:HOH474 4.6 23.1 0.2
CB A:PRO175 4.7 11.8 0.3
CB A:VAL198 4.7 13.2 0.1
CB A:VAL198 4.7 12.2 0.1
N A:LEU199 4.7 11.2 0.2
C A:LEU199 4.8 10.3 0.2
HA A:ASP200 4.8 13.2 0.3
HG21 A:VAL198 4.8 17.2 0.3
C A:LEU199 4.8 9.4 0.2
O A:VAL177 4.8 11.0 0.1
HG22 A:VAL198 4.8 16.4 0.3
HA A:ASP200 4.8 8.0 0.2
CB A:VAL198 4.8 10.9 0.1
C A:LEU199 4.8 10.8 0.3
HA A:ASP200 4.8 11.1 0.1
CB A:ASP200 4.8 7.8 0.2
HA A:ASP200 4.8 11.6 0.3
CB A:VAL198 4.9 18.6 0.2
HA A:ASP200 4.9 12.4 0.1
CB A:ASP200 4.9 10.7 0.1
N A:LEU199 4.9 11.4 0.1
C A:LEU199 4.9 9.5 0.2
CB A:ASP200 4.9 11.0 0.1
N A:LEU199 4.9 11.2 0.2
HG21 A:VAL198 4.9 16.0 0.1
N A:LEU199 4.9 9.9 0.2
HB3 A:PRO175 4.9 11.2 0.2
O A:VAL177 4.9 16.2 0.2
HA A:ASP200 4.9 13.0 0.1
CB A:VAL198 4.9 13.5 0.3
N A:ASP200 4.9 9.5 0.3
C A:LEU199 4.9 10.9 0.1
O A:VAL177 5.0 9.2 0.1
CB A:ASP200 5.0 11.8 0.3
O A:VAL177 5.0 5.8 0.3
CB A:PRO175 5.0 12.3 0.2

Reference:

S.Du, S.Wankowicz, F.Yabukarski, T.Doukov, D.Herschlag, J.S.Fraser. Refinement of Multiconformer Ensemble Models From Multi-Temperature X-Ray Diffraction Data Methods Enzymol. 2023.
ISSN: ISSN 0076-6879
DOI: 10.1016/BS.MIE.2023.06.009
Page generated: Fri Jul 19 11:37:37 2024

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