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Calcium in PDB 8sqv: Proteinase K Multiconformer Model at 333K

Enzymatic activity of Proteinase K Multiconformer Model at 333K

All present enzymatic activity of Proteinase K Multiconformer Model at 333K:
3.4.21.64;

Protein crystallography data

The structure of Proteinase K Multiconformer Model at 333K, PDB code: 8sqv 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) 35.21 / 1.22
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 68.068, 68.068, 103.275, 90, 90, 90
R / Rfree (%) 13.2 / 16.9

Calcium Binding Sites:

The binding sites of Calcium atom in the Proteinase K Multiconformer Model at 333K (pdb code 8sqv). 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 333K, PDB code: 8sqv:
Jump to Calcium binding site number: 1; 2; 3; 4; 5; 6;

Calcium binding site 1 out of 6 in 8sqv

Go back to Calcium Binding Sites List in 8sqv
Calcium binding site 1 out of 6 in the Proteinase K Multiconformer Model at 333K


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 333K within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca302

b:15.2
occ:0.22
 CA A:CA302 0.0 15.2 0.2
O A:HOH482 1.1 32.5 0.1
O A:HOH482 1.2 35.0 0.2
O A:HOH482 1.8 17.4 0.1
CA A:CA302 1.9 28.7 0.3
O A:HOH482 2.1 11.9 0.3
O A:HOH482 2.2 16.1 0.1
OD2 A:ASP200 2.2 11.9 0.1
CA A:CA302 2.2 34.1 0.1
OD2 A:ASP200 2.3 11.2 0.1
O A:PRO175 2.3 14.2 0.2
O A:HOH545 2.3 27.4 0.2
OD2 A:ASP200 2.3 8.0 0.2
O A:VAL177 2.4 11.1 0.3
CA A:CA302 2.4 19.8 0.1
OD2 A:ASP200 2.5 9.8 0.1
O A:VAL177 2.5 10.0 0.1
O A:VAL177 2.5 5.8 0.1
O A:HOH482 2.5 26.0 0.2
O A:VAL177 2.5 11.1 0.2
O A:VAL177 2.5 11.0 0.1
O A:VAL177 2.5 9.1 0.2
OD1 A:ASP200 2.5 11.6 0.2
OD2 A:ASP200 2.5 10.1 0.3
O A:HOH545 2.5 14.1 0.1
O A:PRO175 2.5 15.2 0.3
O A:PRO175 2.6 12.0 0.2
OD2 A:ASP200 2.6 11.8 0.2
O A:PRO175 2.7 14.9 0.1
CA A:CA302 2.7 25.0 0.1
OD1 A:ASP200 2.7 9.8 0.1
O A:PRO175 2.8 13.9 0.2
OD1 A:ASP200 2.8 7.6 0.2
OD1 A:ASP200 2.8 10.9 0.3
CG A:ASP200 2.9 7.8 0.2
CA A:CA302 2.9 50.3 0.2
CG A:ASP200 2.9 9.7 0.1
CG A:ASP200 2.9 11.4 0.2
OD1 A:ASP200 2.9 11.5 0.1
O A:HOH545 2.9 45.8 0.3
CG A:ASP200 2.9 11.3 0.1
CG A:ASP200 2.9 11.9 0.1
O A:HOH542 3.0 55.3 1.0
OD1 A:ASP200 3.0 12.2 0.1
CG A:ASP200 3.0 10.1 0.3
O A:HOH545 3.1 68.9 0.3
HA A:PRO175 3.4 12.7 0.2
C A:PRO175 3.5 11.0 0.2
C A:PRO175 3.5 14.2 0.2
C A:PRO175 3.6 13.9 0.3
HA A:CYS178 3.6 12.3 0.2
C A:VAL177 3.6 11.2 0.3
C A:VAL177 3.6 10.3 0.1
C A:PRO175 3.6 14.6 0.1
HA A:CYS178 3.7 13.7 0.1
HA A:CYS178 3.7 12.7 0.2
C A:VAL177 3.7 11.2 0.1
HA A:PRO175 3.7 17.8 0.1
C A:VAL177 3.7 6.5 0.1
C A:PRO175 3.7 13.1 0.2
C A:VAL177 3.7 11.8 0.2
HA A:PRO175 3.7 16.1 0.2
HA A:CYS178 3.7 13.9 0.2
C A:VAL177 3.7 9.4 0.2
HA A:CYS178 3.8 11.4 0.3
HA A:PRO175 3.8 16.8 0.3
H A:THR179 3.9 12.3 0.2
HA A:PRO175 3.9 17.3 0.2
H A:THR179 3.9 10.0 0.3
CA A:PRO175 4.0 10.6 0.2
H A:THR179 4.0 13.2 0.1
N A:VAL177 4.0 6.7 0.1
H A:THR179 4.1 10.2 0.2
H A:THR179 4.1 14.0 0.2
N A:VAL177 4.2 10.8 0.3
CA A:PRO175 4.2 14.8 0.1
CA A:PRO175 4.2 13.4 0.2
N A:VAL177 4.2 10.8 0.1
O A:VAL198 4.2 14.0 0.1
CA A:PRO175 4.3 14.4 0.2
CB A:ASP200 4.3 8.3 0.2
N A:VAL177 4.3 12.6 0.1
CA A:PRO175 4.3 14.0 0.3
CB A:ASP200 4.3 9.8 0.1
O A:VAL198 4.3 13.3 0.2
N A:VAL177 4.3 11.0 0.2
O A:VAL198 4.3 14.9 0.2
N A:VAL177 4.3 13.0 0.2
HA A:SER176 4.3 16.7 0.2
C A:SER176 4.3 13.3 0.2
O A:GLU174 4.4 14.9 0.1
O A:GLU174 4.4 12.3 0.3
CB A:ASP200 4.4 11.2 0.2
CB A:ASP200 4.4 11.7 0.1
O A:VAL198 4.4 11.9 0.3
O A:GLU174 4.4 13.1 0.2
O A:GLU174 4.4 13.9 0.2
O A:VAL198 4.4 15.7 0.1
CB A:ASP200 4.4 11.1 0.1
OG1 A:THR179 4.4 12.2 0.2
CA A:CYS178 4.4 10.3 0.2
HA A:SER176 4.4 15.6 0.3
CA A:CYS178 4.4 10.6 0.2
O A:HOH547 4.4 46.8 1.0
O A:GLU174 4.4 10.4 0.2
CA A:VAL177 4.4 7.0 0.1
N A:CYS178 4.4 10.4 0.2
CA A:CYS178 4.4 11.4 0.1
HG1 A:THR179 4.5 14.7 0.2
N A:CYS178 4.5 10.7 0.2
N A:CYS178 4.5 11.6 0.2
CA A:CYS178 4.5 11.6 0.2
N A:SER176 4.5 14.0 0.2
N A:SER176 4.5 13.2 0.3
N A:CYS178 4.5 11.7 0.1
HB3 A:ASP200 4.5 10.0 0.2
HB3 A:ASP200 4.5 11.8 0.1
C A:SER176 4.5 10.9 0.2
N A:SER176 4.5 10.9 0.2
HG22 A:VAL177 4.5 11.2 0.2
HG13 A:VAL198 4.5 17.5 0.1
HG22 A:VAL198 4.5 20.6 0.2
CA A:CYS178 4.5 9.5 0.3
C A:SER176 4.5 13.2 0.1
CB A:ASP200 4.5 9.6 0.3
HB2 A:ASP200 4.6 14.0 0.1
HG22 A:VAL198 4.6 19.4 0.1
CA A:VAL177 4.6 11.3 0.3
N A:CYS178 4.6 9.3 0.3
HB2 A:ASP200 4.6 10.0 0.2
HB2 A:ASP200 4.6 11.8 0.1
CA A:VAL177 4.6 10.6 0.1
HB3 A:PRO175 4.6 12.7 0.2
N A:SER176 4.6 12.3 0.2
N A:THR179 4.6 10.3 0.2
N A:THR179 4.6 8.3 0.3
HB2 A:ASP200 4.6 13.4 0.1
CA A:SER176 4.6 13.9 0.2
C A:SER176 4.6 12.1 0.3
N A:SER176 4.6 14.0 0.1
HB3 A:ASP200 4.6 13.4 0.2
CA A:VAL177 4.6 12.0 0.1
CA A:VAL177 4.7 12.7 0.2
C A:SER176 4.7 10.9 0.2
N A:THR179 4.7 11.7 0.2
N A:THR179 4.7 11.0 0.1
CA A:VAL177 4.7 10.0 0.2
N A:THR179 4.7 8.5 0.2
HB2 A:ASP200 4.7 13.4 0.2
O A:SER176 4.7 13.3 0.2
OG1 A:THR179 4.7 9.8 0.3
CA A:SER176 4.7 13.0 0.3
HB A:THR179 4.7 11.0 0.3
HA A:SER176 4.7 13.3 0.2
SG A:CYS249 4.8 11.5 0.4
HA A:SER176 4.8 14.2 0.2
HB3 A:ASP200 4.8 14.0 0.1
SG A:CYS249 4.8 13.4 0.3
HB3 A:ASP200 4.8 13.4 0.1
HA A:VAL177 4.8 8.4 0.1
HB A:THR179 4.8 8.6 0.2
HA A:SER176 4.8 16.3 0.1
HG1 A:THR179 4.8 11.8 0.3
HB2 A:ASP200 4.9 11.5 0.3
CA A:SER176 4.9 11.1 0.2
O A:HOH406 4.9 53.2 1.0
CB A:PRO175 4.9 10.5 0.2
O A:SER176 4.9 13.2 0.1
O A:HOH452 4.9 51.0 1.0
O A:VAL198 4.9 14.7 0.1
HB A:THR179 4.9 14.3 0.2
HG22 A:VAL198 4.9 17.2 0.3
CA A:SER176 4.9 13.6 0.1
CA A:SER176 5.0 11.9 0.2
O A:SER176 5.0 10.7 0.2
HB3 A:ASP200 5.0 11.5 0.3
HG23 A:VAL198 5.0 20.6 0.2
HG23 A:VAL198 5.0 19.4 0.1

Calcium binding site 2 out of 6 in 8sqv

Go back to Calcium Binding Sites List in 8sqv
Calcium binding site 2 out of 6 in the Proteinase K Multiconformer Model at 333K


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 333K within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca302

b:19.8
occ:0.11
 CA A:CA302 0.0 19.8 0.1
O A:HOH482 0.2 26.0 0.2
CA A:CA302 0.3 25.0 0.1
O A:HOH482 0.4 11.9 0.3
HG1 A:THR179 2.2 14.7 0.2
OG1 A:THR179 2.4 12.2 0.2
CA A:CA302 2.4 15.2 0.2
O A:HOH545 2.5 14.1 0.1
HG1 A:THR179 2.6 11.8 0.3
HG22 A:VAL198 2.6 20.6 0.2
HG22 A:VAL198 2.6 19.4 0.1
HG13 A:VAL198 2.7 17.5 0.1
OG1 A:THR179 2.7 9.8 0.3
OD2 A:ASP200 2.7 9.8 0.1
O A:VAL177 2.8 11.0 0.1
O A:VAL177 2.8 10.0 0.1
HA A:PRO175 2.8 12.7 0.2
O A:VAL177 2.8 5.8 0.1
OD2 A:ASP200 2.8 11.8 0.2
O A:VAL177 2.8 11.1 0.2
HG22 A:VAL198 2.9 17.2 0.3
O A:GLU174 2.9 14.9 0.1
OD2 A:ASP200 2.9 11.9 0.1
HG1 A:THR179 2.9 9.1 0.2
HG1 A:THR179 2.9 12.5 0.2
O A:GLU174 2.9 13.1 0.2
O A:HOH545 2.9 45.8 0.3
O A:HOH545 2.9 27.4 0.2
O A:GLU174 3.0 13.9 0.2
OD2 A:ASP200 3.0 8.0 0.2
O A:GLU174 3.0 12.3 0.3
OG1 A:THR179 3.0 10.4 0.2
CA A:CA302 3.0 34.1 0.1
HG1 A:THR179 3.0 13.1 0.1
O A:VAL198 3.0 11.9 0.3
OD2 A:ASP200 3.0 11.2 0.1
O A:GLU174 3.0 10.4 0.2
O A:VAL198 3.1 14.9 0.2
OG1 A:THR179 3.1 10.9 0.1
O A:VAL198 3.1 14.0 0.1
HA A:PRO175 3.1 16.1 0.2
OD2 A:ASP200 3.1 10.1 0.3
O A:VAL198 3.1 13.3 0.2
OG1 A:THR179 3.2 7.5 0.2
HA A:PRO175 3.2 17.8 0.1
O A:PRO175 3.2 14.2 0.2
HG12 A:VAL198 3.2 17.5 0.1
HB A:THR179 3.2 8.6 0.2
O A:VAL198 3.2 14.7 0.1
O A:VAL177 3.3 9.1 0.2
HB A:THR179 3.3 11.0 0.3
H A:THR179 3.3 12.3 0.2
O A:VAL198 3.3 15.7 0.1
HG22 A:VAL177 3.3 11.2 0.2
CG1 A:VAL198 3.3 14.6 0.1
H A:THR179 3.3 13.2 0.1
O A:HOH482 3.4 32.5 0.1
HA A:PRO175 3.4 17.3 0.2
HA A:PRO175 3.4 16.8 0.3
H A:THR179 3.4 10.0 0.3
O A:HOH545 3.4 68.9 0.3
CG2 A:VAL198 3.4 16.2 0.1
O A:VAL177 3.4 11.1 0.3
HB A:THR179 3.4 12.2 0.2
CG2 A:VAL198 3.5 17.2 0.2
HB A:THR179 3.5 13.0 0.1
HB A:THR179 3.5 14.3 0.2
CA A:CA302 3.5 50.3 0.2
CB A:THR179 3.5 9.1 0.3
CB A:THR179 3.5 11.9 0.2
HG23 A:VAL198 3.5 19.4 0.1
O A:HOH482 3.6 35.0 0.2
H A:THR179 3.6 10.2 0.2
O A:PRO175 3.6 15.2 0.3
HG23 A:VAL198 3.6 20.6 0.2
CA A:PRO175 3.6 10.6 0.2
CB A:THR179 3.7 7.2 0.2
O A:PRO175 3.7 12.0 0.2
H A:THR179 3.7 14.0 0.2
HB A:VAL198 3.7 18.5 0.1
CG A:ASP200 3.7 9.7 0.1
CG2 A:VAL198 3.7 14.4 0.3
HG23 A:VAL198 3.7 17.2 0.3
CB A:THR179 3.7 10.1 0.2
HG11 A:VAL198 3.7 17.5 0.1
O A:PRO175 3.7 14.9 0.1
CG A:ASP200 3.8 7.8 0.2
C A:VAL177 3.8 6.5 0.1
HG21 A:VAL198 3.8 19.4 0.1
CB A:THR179 3.8 10.9 0.1
CG A:ASP200 3.8 11.4 0.2
C A:PRO175 3.8 14.2 0.2
HG21 A:VAL198 3.8 20.6 0.2
OD1 A:ASP200 3.8 7.6 0.2
C A:VAL177 3.9 10.3 0.1
C A:PRO175 3.9 11.0 0.2
C A:VAL177 3.9 11.2 0.1
HG23 A:VAL177 3.9 14.4 0.1
HB A:VAL198 3.9 17.1 0.2
CA A:PRO175 3.9 13.4 0.2
HG22 A:VAL177 3.9 12.8 0.1
O A:PRO175 3.9 13.9 0.2
CA A:PRO175 3.9 14.8 0.1
C A:VAL177 3.9 11.8 0.2
N A:THR179 3.9 10.3 0.2
C A:GLU174 3.9 10.6 0.2
OD1 A:ASP200 3.9 9.8 0.1
C A:GLU174 3.9 14.9 0.1
N A:THR179 3.9 11.0 0.1
O A:ALA172 3.9 11.7 0.3
C A:PRO175 3.9 13.9 0.3
C A:GLU174 4.0 13.2 0.2
O A:ALA172 4.0 12.4 0.2
N A:THR179 4.0 8.3 0.3
CA A:PRO175 4.0 14.4 0.2
HG22 A:VAL177 4.0 14.4 0.1
C A:GLU174 4.0 14.0 0.2
HG23 A:VAL177 4.0 11.2 0.2
C A:PRO175 4.0 14.6 0.1
N A:THR179 4.0 8.5 0.2
C A:GLU174 4.0 12.5 0.3
CA A:PRO175 4.0 14.0 0.3
N A:THR179 4.0 11.7 0.2
OD1 A:ASP200 4.0 11.6 0.2
CG A:ASP200 4.0 11.9 0.1
O A:ALA172 4.0 13.3 0.2
C A:VAL177 4.0 9.4 0.2
O A:ALA172 4.0 13.6 0.2
CG A:ASP200 4.0 11.3 0.1
C A:PRO175 4.1 13.1 0.2
O A:ALA172 4.1 15.5 0.1
HG23 A:VAL177 4.1 13.8 0.3
CG2 A:VAL177 4.1 9.3 0.2
C A:VAL177 4.1 11.2 0.3
O A:HOH482 4.1 17.4 0.1
CG A:ASP200 4.2 10.1 0.3
C A:VAL198 4.2 14.4 0.1
HG23 A:VAL177 4.2 15.8 0.2
C A:VAL198 4.2 11.8 0.3
C A:VAL198 4.2 14.0 0.1
HG22 A:VAL177 4.2 13.8 0.3
C A:VAL198 4.2 14.9 0.2
HG23 A:VAL177 4.2 12.8 0.1
HG21 A:VAL198 4.2 17.2 0.3
HA A:CYS178 4.2 13.7 0.1
N A:PRO175 4.2 10.4 0.2
C A:VAL198 4.3 13.1 0.2
HA A:CYS178 4.3 12.7 0.2
HA A:CYS178 4.3 12.3 0.2
C A:VAL198 4.3 15.7 0.1
HA A:CYS178 4.3 13.9 0.2
HG22 A:VAL177 4.3 9.0 0.1
CA A:CA302 4.3 28.7 0.3
HA A:VAL198 4.4 18.2 0.1
HG21 A:THR179 4.4 14.0 0.2
HA A:CYS178 4.4 11.4 0.3
HG22 A:VAL177 4.4 15.8 0.2
CG2 A:VAL177 4.4 12.0 0.1
HG13 A:VAL198 4.4 19.9 0.2
CA A:THR179 4.4 8.4 0.3
N A:PRO175 4.4 14.9 0.1
N A:PRO175 4.4 13.3 0.2
CA A:THR179 4.4 11.7 0.2
N A:VAL177 4.4 6.7 0.1
OD1 A:ASP200 4.5 11.5 0.1
O A:HOH482 4.5 16.1 0.1
CA A:THR179 4.5 10.1 0.2
HA A:VAL198 4.5 17.6 0.1
N A:VAL177 4.5 10.8 0.1
HG21 A:THR179 4.5 11.1 0.3
N A:VAL177 4.5 11.0 0.2
N A:PRO175 4.5 14.2 0.2
CA A:THR179 4.5 7.5 0.2
CG2 A:VAL177 4.5 10.6 0.1
CA A:THR179 4.5 10.8 0.1
HG13 A:VAL198 4.5 19.2 0.1
N A:PRO175 4.5 13.3 0.3
OD1 A:ASP200 4.5 10.9 0.3
CB A:VAL198 4.5 15.4 0.1
N A:VAL177 4.5 12.6 0.1
HA A:VAL198 4.6 19.2 0.2
HA A:VAL198 4.6 15.3 0.3
HG23 A:VAL177 4.6 9.0 0.1
HA A:VAL198 4.6 19.0 0.1
OD1 A:ASP200 4.6 12.2 0.1
CG2 A:THR179 4.6 11.7 0.2
CB A:VAL198 4.6 16.6 0.2
HG13 A:VAL198 4.6 16.6 0.3
N A:VAL177 4.6 13.0 0.2
CB A:VAL198 4.6 16.0 0.1
N A:VAL177 4.6 10.8 0.3
CG2 A:VAL177 4.6 11.5 0.3
CA A:VAL198 4.6 15.2 0.1
CB A:VAL198 4.6 14.8 0.1
HA A:VAL198 4.6 16.7 0.2
HG21 A:VAL177 4.6 11.2 0.2
CG2 A:THR179 4.6 9.2 0.3
C A:CYS178 4.7 11.7 0.2
N A:CYS178 4.7 11.6 0.2
CA A:VAL198 4.7 14.7 0.1
C A:CYS178 4.7 9.7 0.2
N A:CYS178 4.7 11.7 0.1
C A:CYS178 4.7 11.2 0.1
N A:CYS178 4.7 10.4 0.2
CA A:VAL177 4.7 7.0 0.1
N A:CYS178 4.7 10.7 0.2
CA A:VAL198 4.7 16.0 0.2
CA A:VAL177 4.7 10.6 0.1
CG2 A:VAL177 4.7 13.2 0.2
CA A:CYS178 4.7 11.4 0.1
CB A:VAL198 4.7 14.2 0.2
N A:CYS178 4.7 9.3 0.3
HB3 A:PRO175 4.7 12.7 0.2
CA A:VAL177 4.7 12.0 0.1
CA A:VAL198 4.8 15.8 0.1
CA A:CYS178 4.8 10.6 0.2
CB A:VAL198 4.8 13.7 0.3
C A:CYS178 4.8 10.3 0.2
CA A:CYS178 4.8 11.6 0.2
CA A:VAL198 4.8 12.8 0.3
CA A:VAL177 4.8 10.0 0.2
HA A:LEU199 4.8 12.7 0.2
CA A:CYS178 4.8 10.3 0.2
HG21 A:THR179 4.8 8.4 0.2
C A:CYS178 4.8 8.8 0.3
CA A:VAL198 4.8 13.9 0.2
N A:SER176 4.8 10.9 0.2
CA A:VAL177 4.8 12.7 0.2
CB A:PRO175 4.8 10.5 0.2
N A:SER176 4.8 13.2 0.3
CG2 A:THR179 4.9 7.0 0.2
CA A:CYS178 4.9 9.5 0.3
CG2 A:VAL177 4.9 7.5 0.1
N A:SER176 4.9 14.0 0.2
HA A:THR179 4.9 14.0 0.2
HA A:THR179 4.9 10.1 0.3
CA A:VAL177 4.9 11.3 0.3
N A:SER176 4.9 12.3 0.2
HA A:LEU199 4.9 15.2 0.2
HG21 A:THR179 4.9 12.2 0.2
H A:ASP200 4.9 11.5 0.3
N A:SER176 4.9 14.0 0.1
CG2 A:THR179 5.0 10.1 0.2
O A:SER173 5.0 11.3 0.3
HG21 A:THR179 5.0 13.1 0.1

Calcium binding site 3 out of 6 in 8sqv

Go back to Calcium Binding Sites List in 8sqv
Calcium binding site 3 out of 6 in the Proteinase K Multiconformer Model at 333K


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 333K within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca302

b:28.7
occ:0.26
 CA A:CA302 0.0 28.7 0.3
O A:HOH482 0.4 17.4 0.1
O A:HOH482 0.5 16.1 0.1
O A:HOH482 0.8 35.0 0.2
O A:HOH482 1.1 32.5 0.1
CA A:CA302 1.9 15.2 0.2
O A:HOH542 2.6 55.3 1.0
O A:VAL177 2.6 11.1 0.3
O A:HOH547 2.7 46.8 1.0
OD1 A:ASP200 2.9 10.9 0.3
O A:VAL177 2.9 9.1 0.2
O A:PRO175 3.0 12.0 0.2
OD1 A:ASP200 3.0 11.6 0.2
O A:PRO175 3.0 14.2 0.2
O A:PRO175 3.0 15.2 0.3
O A:PRO175 3.1 14.9 0.1
OD1 A:ASP200 3.2 11.5 0.1
O A:PRO175 3.2 13.9 0.2
OD2 A:ASP200 3.2 11.2 0.1
O A:VAL177 3.2 5.8 0.1
O A:VAL177 3.3 11.1 0.2
OD1 A:ASP200 3.3 12.2 0.1
O A:VAL177 3.3 10.0 0.1
OD2 A:ASP200 3.3 11.9 0.1
O A:VAL177 3.3 11.0 0.1
OD2 A:ASP200 3.4 8.0 0.2
OD1 A:ASP200 3.4 9.8 0.1
CG A:ASP200 3.5 11.3 0.1
O A:HOH406 3.5 53.2 1.0
OD2 A:ASP200 3.5 10.1 0.3
CG A:ASP200 3.5 10.1 0.3
CG A:ASP200 3.5 11.9 0.1
CA A:CA302 3.6 34.1 0.1
CG A:ASP200 3.6 11.4 0.2
CG A:ASP200 3.6 7.8 0.2
OD1 A:ASP200 3.7 7.6 0.2
OD2 A:ASP200 3.7 9.8 0.1
CG A:ASP200 3.7 9.7 0.1
O A:HOH545 3.7 27.4 0.2
C A:VAL177 3.8 11.2 0.3
HA A:SER176 3.8 16.7 0.2
HA A:CYS178 3.8 12.3 0.2
OD2 A:ASP200 3.8 11.8 0.2
SG A:CYS249 3.9 13.4 0.3
SG A:CYS249 3.9 11.5 0.4
HA A:CYS178 3.9 12.7 0.2
HA A:SER176 3.9 15.6 0.3
HA A:CYS178 3.9 13.9 0.2
HA A:CYS178 3.9 13.7 0.1
HA A:CYS178 4.0 11.4 0.3
O A:HOH482 4.0 11.9 0.3
O A:SER176 4.0 13.3 0.2
C A:VAL177 4.0 10.3 0.1
C A:VAL177 4.0 9.4 0.2
C A:VAL177 4.1 11.2 0.1
C A:VAL177 4.1 11.8 0.2
C A:SER176 4.1 13.3 0.2
HB3 A:CYS249 4.1 13.4 0.4
CA A:CA302 4.1 50.3 0.2
O A:HOH545 4.1 14.1 0.1
C A:PRO175 4.2 11.0 0.2
C A:VAL177 4.2 6.5 0.1
HB3 A:CYS249 4.2 16.4 0.3
C A:PRO175 4.2 14.2 0.2
HB3 A:CYS249 4.2 13.0 0.3
O A:SER176 4.2 13.2 0.1
N A:VAL177 4.2 6.7 0.1
C A:PRO175 4.2 13.9 0.3
SG A:CYS249 4.3 11.2 0.3
C A:PRO175 4.3 14.6 0.1
C A:SER176 4.3 10.9 0.2
O A:SER176 4.3 10.7 0.2
C A:SER176 4.3 13.2 0.1
N A:VAL177 4.3 10.8 0.3
C A:PRO175 4.3 13.1 0.2
HA A:SER176 4.3 13.3 0.2
HA A:SER176 4.3 14.2 0.2
CA A:CA302 4.3 19.8 0.1
C A:SER176 4.4 10.9 0.2
O A:HOH482 4.4 26.0 0.2
CA A:SER176 4.4 13.9 0.2
HA A:SER176 4.4 16.3 0.1
O A:HOH545 4.4 45.8 0.3
C A:SER176 4.4 12.1 0.3
O A:HOH545 4.4 68.9 0.3
HB3 A:ASP200 4.5 10.0 0.2
N A:VAL177 4.5 10.8 0.1
N A:VAL177 4.5 12.6 0.1
CB A:CYS249 4.5 11.2 0.4
CA A:SER176 4.6 13.0 0.3
HB3 A:ASP200 4.6 11.8 0.1
N A:VAL177 4.6 13.0 0.2
HA A:VAL177 4.6 8.4 0.1
CA A:CA302 4.6 25.0 0.1
CB A:CYS249 4.6 13.7 0.3
N A:VAL177 4.6 11.0 0.2
O A:HOH496 4.6 60.0 1.0
CA A:VAL177 4.6 7.0 0.1
CA A:CYS178 4.6 10.3 0.2
CA A:VAL177 4.6 11.3 0.3
O A:SER176 4.6 10.4 0.2
HB3 A:ASP200 4.7 13.4 0.2
N A:CYS178 4.7 10.7 0.2
N A:CYS178 4.7 10.4 0.2
CB A:ASP200 4.7 8.3 0.2
N A:CYS178 4.7 11.6 0.2
CA A:CYS178 4.7 10.6 0.2
CA A:SER176 4.7 11.1 0.2
CA A:CYS178 4.7 11.6 0.2
CA A:CYS178 4.7 11.4 0.1
N A:CYS178 4.7 11.7 0.1
O A:SER176 4.7 12.3 0.3
CB A:ASP200 4.8 9.8 0.1
CB A:ASP200 4.8 11.1 0.1
CA A:SER176 4.8 11.9 0.2
CB A:CYS249 4.8 10.8 0.3
CA A:CYS178 4.8 9.5 0.3
CB A:ASP200 4.8 11.7 0.1
CB A:ASP200 4.8 11.2 0.2
CA A:SER176 4.8 13.6 0.1
N A:SER176 4.8 14.0 0.2
HB3 A:ASP200 4.8 13.4 0.1
HB3 A:ASP200 4.8 14.0 0.1
CA A:VAL177 4.8 10.6 0.1
HB2 A:CYS249 4.8 13.4 0.4
N A:CYS178 4.8 9.3 0.3
HA A:PRO175 4.8 12.7 0.2
N A:SER176 4.9 13.2 0.3
HA A:VAL177 4.9 13.5 0.3
CA A:VAL177 4.9 12.7 0.2
CB A:ASP200 4.9 9.6 0.3
HB2 A:CYS249 4.9 16.4 0.3
CA A:VAL177 4.9 12.0 0.1
N A:SER176 4.9 10.9 0.2
HB3 A:ASP200 4.9 11.5 0.3
N A:SER176 5.0 12.3 0.2
HA A:VAL177 5.0 12.7 0.1
CA A:VAL177 5.0 10.0 0.2
H A:THR179 5.0 10.0 0.3
HB2 A:ASP200 5.0 10.0 0.2
HA A:PRO175 5.0 17.8 0.1
HA A:VAL177 5.0 15.2 0.2

Calcium binding site 4 out of 6 in 8sqv

Go back to Calcium Binding Sites List in 8sqv
Calcium binding site 4 out of 6 in the Proteinase K Multiconformer Model at 333K


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 333K within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca302

b:25.0
occ:0.15
 CA A:CA302 0.0 25.0 0.1
O A:HOH482 0.2 26.0 0.2
CA A:CA302 0.3 19.8 0.1
O A:HOH482 0.6 11.9 0.3
HG1 A:THR179 1.9 14.7 0.2
OG1 A:THR179 2.2 12.2 0.2
HG1 A:THR179 2.3 11.8 0.3
OG1 A:THR179 2.5 9.8 0.3
HG22 A:VAL198 2.5 19.4 0.1
HG22 A:VAL198 2.5 20.6 0.2
HG1 A:THR179 2.7 9.1 0.2
HG1 A:THR179 2.7 12.5 0.2
HG13 A:VAL198 2.7 17.5 0.1
CA A:CA302 2.7 15.2 0.2
HG1 A:THR179 2.7 13.1 0.1
OG1 A:THR179 2.7 10.4 0.2
O A:HOH545 2.8 14.1 0.1
HG22 A:VAL198 2.8 17.2 0.3
O A:GLU174 2.8 14.9 0.1
OG1 A:THR179 2.8 10.9 0.1
O A:VAL177 2.8 11.0 0.1
O A:VAL177 2.8 10.0 0.1
O A:GLU174 2.8 13.1 0.2
O A:GLU174 2.9 13.9 0.2
OD2 A:ASP200 2.9 9.8 0.1
O A:GLU174 2.9 12.3 0.3
O A:VAL177 2.9 5.8 0.1
O A:VAL177 2.9 11.1 0.2
OG1 A:THR179 2.9 7.5 0.2
HA A:PRO175 2.9 12.7 0.2
OD2 A:ASP200 2.9 11.8 0.2
O A:GLU174 3.0 10.4 0.2
O A:VAL198 3.0 11.9 0.3
HG12 A:VAL198 3.0 17.5 0.1
HB A:THR179 3.1 8.6 0.2
O A:VAL198 3.1 14.9 0.2
OD2 A:ASP200 3.1 11.9 0.1
OD2 A:ASP200 3.1 8.0 0.2
O A:VAL198 3.1 14.0 0.1
HB A:THR179 3.1 11.0 0.3
HG22 A:VAL177 3.2 11.2 0.2
O A:VAL198 3.2 14.7 0.1
O A:HOH545 3.2 45.8 0.3
O A:VAL198 3.2 13.3 0.2
OD2 A:ASP200 3.2 11.2 0.1
O A:HOH545 3.2 27.4 0.2
HA A:PRO175 3.2 16.1 0.2
H A:THR179 3.2 12.3 0.2
CG1 A:VAL198 3.2 14.6 0.1
CA A:CA302 3.3 34.1 0.1
OD2 A:ASP200 3.3 10.1 0.3
HA A:PRO175 3.3 17.8 0.1
HB A:THR179 3.3 12.2 0.2
O A:VAL198 3.3 15.7 0.1
H A:THR179 3.3 13.2 0.1
HB A:THR179 3.3 13.0 0.1
CB A:THR179 3.3 9.1 0.3
O A:VAL177 3.3 9.1 0.2
CB A:THR179 3.4 11.9 0.2
O A:PRO175 3.4 14.2 0.2
HB A:THR179 3.4 14.3 0.2
CG2 A:VAL198 3.4 16.2 0.1
H A:THR179 3.4 10.0 0.3
CG2 A:VAL198 3.4 17.2 0.2
HA A:PRO175 3.5 17.3 0.2
CB A:THR179 3.5 7.2 0.2
HA A:PRO175 3.5 16.8 0.3
H A:THR179 3.5 10.2 0.2
CB A:THR179 3.5 10.1 0.2
O A:VAL177 3.6 11.1 0.3
HG23 A:VAL198 3.6 19.4 0.1
CB A:THR179 3.6 10.9 0.1
HG11 A:VAL198 3.6 17.5 0.1
HB A:VAL198 3.6 18.5 0.1
O A:HOH482 3.6 32.5 0.1
HG23 A:VAL198 3.6 20.6 0.2
CG2 A:VAL198 3.6 14.4 0.3
O A:HOH545 3.7 68.9 0.3
O A:ALA172 3.7 11.7 0.3
HG21 A:VAL198 3.7 19.4 0.1
H A:THR179 3.7 14.0 0.2
O A:ALA172 3.7 12.4 0.2
HG23 A:VAL177 3.7 14.4 0.1
HG23 A:VAL198 3.7 17.2 0.3
CA A:PRO175 3.7 10.6 0.2
CA A:CA302 3.7 50.3 0.2
HG22 A:VAL177 3.7 12.8 0.1
HG21 A:VAL198 3.7 20.6 0.2
O A:ALA172 3.8 13.3 0.2
O A:ALA172 3.8 13.6 0.2
C A:VAL177 3.8 6.5 0.1
HB A:VAL198 3.8 17.1 0.2
O A:PRO175 3.8 15.2 0.3
O A:ALA172 3.8 15.5 0.1
O A:HOH482 3.8 35.0 0.2
N A:THR179 3.8 10.3 0.2
HG23 A:VAL177 3.8 11.2 0.2
C A:GLU174 3.9 10.6 0.2
N A:THR179 3.9 11.0 0.1
HG22 A:VAL177 3.9 14.4 0.1
C A:GLU174 3.9 14.9 0.1
CG A:ASP200 3.9 9.7 0.1
C A:GLU174 3.9 13.2 0.2
C A:VAL177 3.9 10.3 0.1
C A:VAL177 3.9 11.2 0.1
O A:PRO175 3.9 12.0 0.2
N A:THR179 3.9 8.3 0.3
C A:VAL177 3.9 11.8 0.2
CG2 A:VAL177 3.9 9.3 0.2
C A:GLU174 3.9 14.0 0.2
HG23 A:VAL177 3.9 13.8 0.3
CG A:ASP200 3.9 7.8 0.2
N A:THR179 3.9 8.5 0.2
O A:PRO175 4.0 14.9 0.1
C A:GLU174 4.0 12.5 0.3
N A:THR179 4.0 11.7 0.2
C A:PRO175 4.0 14.2 0.2
CG A:ASP200 4.0 11.4 0.2
CA A:PRO175 4.0 13.4 0.2
CA A:PRO175 4.0 14.8 0.1
HG23 A:VAL177 4.0 15.8 0.2
C A:PRO175 4.0 11.0 0.2
HG23 A:VAL177 4.0 12.8 0.1
OD1 A:ASP200 4.1 7.6 0.2
C A:VAL177 4.1 9.4 0.2
HG22 A:VAL177 4.1 13.8 0.3
C A:PRO175 4.1 13.9 0.3
CA A:PRO175 4.1 14.4 0.2
HG21 A:VAL198 4.1 17.2 0.3
O A:PRO175 4.1 13.9 0.2
CA A:PRO175 4.1 14.0 0.3
C A:VAL198 4.1 14.4 0.1
C A:PRO175 4.1 14.6 0.1
C A:VAL177 4.2 11.2 0.3
OD1 A:ASP200 4.2 9.8 0.1
HG21 A:THR179 4.2 14.0 0.2
C A:VAL198 4.2 11.8 0.3
C A:PRO175 4.2 13.1 0.2
C A:VAL198 4.2 14.0 0.1
HG22 A:VAL177 4.2 9.0 0.1
C A:VAL198 4.2 14.9 0.2
CG A:ASP200 4.2 11.9 0.1
CG A:ASP200 4.2 11.3 0.1
N A:PRO175 4.2 10.4 0.2
CG2 A:VAL177 4.2 12.0 0.1
HG13 A:VAL198 4.3 19.9 0.2
OD1 A:ASP200 4.3 11.6 0.2
C A:VAL198 4.3 13.1 0.2
CA A:THR179 4.3 8.4 0.3
HG22 A:VAL177 4.3 15.8 0.2
HG21 A:THR179 4.3 11.1 0.3
CA A:THR179 4.3 11.7 0.2
HA A:CYS178 4.3 13.7 0.1
C A:VAL198 4.3 15.7 0.1
CA A:THR179 4.3 10.1 0.2
HA A:CYS178 4.3 12.7 0.2
CG A:ASP200 4.3 10.1 0.3
HA A:CYS178 4.3 12.3 0.2
CG2 A:THR179 4.4 11.7 0.2
CA A:THR179 4.4 7.5 0.2
CG2 A:VAL177 4.4 10.6 0.1
O A:HOH482 4.4 17.4 0.1
CA A:THR179 4.4 10.8 0.1
HG13 A:VAL198 4.4 19.2 0.1
HA A:CYS178 4.4 13.9 0.2
HG23 A:VAL177 4.4 9.0 0.1
N A:PRO175 4.4 14.9 0.1
HA A:VAL198 4.4 18.2 0.1
N A:PRO175 4.4 13.3 0.2
HG13 A:VAL198 4.4 16.6 0.3
CG2 A:THR179 4.4 9.2 0.3
HG21 A:VAL177 4.4 11.2 0.2
HA A:CYS178 4.5 11.4 0.3
CB A:VAL198 4.5 15.4 0.1
CG2 A:VAL177 4.5 11.5 0.3
N A:PRO175 4.5 14.2 0.2
N A:VAL177 4.5 6.7 0.1
N A:VAL177 4.5 11.0 0.2
CB A:VAL198 4.5 16.6 0.2
N A:VAL177 4.5 10.8 0.1
N A:PRO175 4.5 13.3 0.3
CB A:VAL198 4.5 16.0 0.1
HA A:VAL198 4.5 17.6 0.1
CB A:VAL198 4.5 14.8 0.1
HG21 A:THR179 4.6 8.4 0.2
N A:VAL177 4.6 12.6 0.1
CA A:CA302 4.6 28.7 0.3
C A:CYS178 4.6 11.7 0.2
CG2 A:VAL177 4.6 13.2 0.2
CA A:VAL198 4.6 15.2 0.1
HA A:VAL198 4.6 15.3 0.3
N A:VAL177 4.6 13.0 0.2
HA A:VAL198 4.6 19.2 0.2
HA A:VAL198 4.6 19.0 0.1
C A:CYS178 4.6 9.7 0.2
C A:CYS178 4.6 11.2 0.1
CG2 A:THR179 4.7 7.0 0.2
N A:VAL177 4.7 10.8 0.3
HA A:VAL198 4.7 16.7 0.2
CB A:VAL198 4.7 14.2 0.2
OD1 A:ASP200 4.7 11.5 0.1
N A:CYS178 4.7 11.6 0.2
O A:HOH482 4.7 16.1 0.1
HG21 A:THR179 4.7 12.2 0.2
CB A:VAL198 4.7 13.7 0.3
N A:CYS178 4.7 11.7 0.1
C A:CYS178 4.7 10.3 0.2
N A:CYS178 4.7 10.4 0.2
CA A:VAL198 4.7 14.7 0.1
CA A:VAL177 4.7 7.0 0.1
N A:CYS178 4.7 10.7 0.2
HA A:THR179 4.7 14.0 0.2
N A:CYS178 4.7 9.3 0.3
CA A:VAL177 4.7 10.6 0.1
CA A:VAL177 4.7 12.0 0.1
HA A:THR179 4.7 10.1 0.3
HA A:LEU199 4.7 12.7 0.2
C A:CYS178 4.7 8.8 0.3
CA A:CYS178 4.8 11.4 0.1
CG2 A:VAL177 4.8 7.5 0.1
C A:ALA172 4.8 11.4 0.3
CA A:VAL198 4.8 16.0 0.2
OD1 A:ASP200 4.8 10.9 0.3
HG23 A:THR179 4.8 14.0 0.2
HG21 A:THR179 4.8 13.1 0.1
CG2 A:THR179 4.8 10.1 0.2
CA A:VAL177 4.8 10.0 0.2
CA A:VAL198 4.8 15.8 0.1
CA A:CYS178 4.8 10.6 0.2
CA A:CYS178 4.8 11.6 0.2
CA A:VAL198 4.8 12.8 0.3
OD1 A:ASP200 4.8 12.2 0.1
CA A:CYS178 4.8 10.3 0.2
CA A:VAL177 4.8 12.7 0.2
CA A:VAL198 4.8 13.9 0.2
CG2 A:THR179 4.8 10.9 0.1
H A:GLU174 4.8 18.1 0.1
N A:GLU174 4.8 15.1 0.1
C A:SER173 4.8 11.5 0.3
N A:GLU174 4.9 11.6 0.2
N A:GLU174 4.9 13.3 0.2
H A:GLU174 4.9 13.9 0.2
N A:GLU174 4.9 14.0 0.2
HA A:THR179 4.9 12.1 0.2
H A:GLU174 4.9 16.0 0.2
O A:SER173 4.9 11.3 0.3
HA A:LEU199 4.9 15.2 0.2
C A:ALA172 4.9 12.6 0.2
CA A:CYS178 4.9 9.5 0.3
N A:GLU174 4.9 11.8 0.3
HA A:THR179 4.9 13.0 0.1
HA A:THR179 4.9 9.0 0.2
HA A:SER173 4.9 13.5 0.3
CG1 A:VAL198 4.9 16.6 0.2
N A:SER176 4.9 10.9 0.2
HB3 A:PRO175 4.9 12.7 0.2
C A:ALA172 4.9 13.3 0.2
N A:SER176 4.9 13.2 0.3
CA A:VAL177 4.9 11.3 0.3
C A:ALA172 4.9 13.5 0.2
HG21 A:VAL177 4.9 14.4 0.1
C A:ALA172 4.9 15.5 0.1
HA A:SER173 5.0 16.1 0.2
CB A:PRO175 5.0 10.5 0.2
HA A:LEU199 5.0 15.9 0.1
H A:ASP200 5.0 11.5 0.3
CA A:GLU174 5.0 15.1 0.1
HA A:LEU199 5.0 15.9 0.2
HG23 A:THR179 5.0 11.1 0.3
CG1 A:VAL198 5.0 16.0 0.1
CA A:GLU174 5.0 11.4 0.2
CA A:GLU174 5.0 13.4 0.2
H A:GLU174 5.0 16.8 0.2

Calcium binding site 5 out of 6 in 8sqv

Go back to Calcium Binding Sites List in 8sqv
Calcium binding site 5 out of 6 in the Proteinase K Multiconformer Model at 333K


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 333K within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca302

b:50.3
occ:0.19
 CA A:CA302 0.0 50.3 0.2
O A:HOH545 0.6 68.9 0.3
CA A:CA302 0.7 34.1 0.1
O A:HOH545 0.9 27.4 0.2
O A:HOH545 1.0 14.1 0.1
O A:HOH545 1.2 45.8 0.3
OD1 A:ASP200 2.5 7.6 0.2
OD1 A:ASP200 2.6 9.8 0.1
O A:HOH452 2.8 51.0 1.0
CA A:CA302 2.9 15.2 0.2
O A:HOH542 2.9 55.3 1.0
OD1 A:ASP200 3.0 11.6 0.2
OD1 A:ASP200 3.2 11.5 0.1
HA A:VAL198 3.2 19.2 0.2
O A:VAL198 3.2 13.3 0.2
OD1 A:ASP200 3.2 12.2 0.1
O A:VAL198 3.2 14.0 0.1
HA A:VAL198 3.2 18.2 0.1
HA A:VAL198 3.2 17.6 0.1
O A:VAL198 3.3 15.7 0.1
HA A:VAL198 3.3 19.0 0.1
O A:VAL198 3.3 14.9 0.2
HA A:VAL198 3.4 15.3 0.3
HA A:VAL198 3.4 16.7 0.2
O A:VAL198 3.4 11.9 0.3
O A:HOH482 3.4 11.9 0.3
CA A:CA302 3.5 19.8 0.1
CG A:ASP200 3.5 9.7 0.1
CG A:ASP200 3.5 7.8 0.2
O A:HOH482 3.5 32.5 0.1
OD1 A:ASP200 3.6 10.9 0.3
HG23 A:VAL198 3.6 20.6 0.2
OD2 A:ASP200 3.6 11.9 0.1
HA A:PRO175 3.6 12.7 0.2
HG13 A:VAL198 3.6 17.5 0.1
HG23 A:VAL198 3.7 19.4 0.1
O A:HOH482 3.7 26.0 0.2
O A:HOH482 3.7 35.0 0.2
CG A:ASP200 3.7 11.9 0.1
CA A:CA302 3.7 25.0 0.1
OD2 A:ASP200 3.8 9.8 0.1
HB3 A:PRO175 3.8 12.7 0.2
CG A:ASP200 3.8 11.4 0.2
HG22 A:VAL198 3.8 20.6 0.2
HA A:PRO175 3.8 17.8 0.1
CG A:ASP200 3.8 11.3 0.1
HA A:PRO175 3.8 16.1 0.2
OD2 A:ASP200 3.8 11.2 0.1
HG22 A:VAL198 3.8 19.4 0.1
HA A:PRO175 3.8 16.8 0.3
OD2 A:ASP200 3.9 8.0 0.2
HA A:PRO175 3.9 17.3 0.2
C A:VAL198 3.9 14.0 0.1
OD2 A:ASP200 3.9 11.8 0.2
C A:VAL198 3.9 14.9 0.2
C A:VAL198 3.9 13.1 0.2
O A:PRO175 3.9 14.2 0.2
HG23 A:VAL198 3.9 17.2 0.3
C A:VAL198 3.9 11.8 0.3
CA A:VAL198 4.0 16.0 0.2
O A:PRO175 4.0 15.2 0.3
C A:VAL198 4.0 15.7 0.1
CA A:VAL198 4.0 14.7 0.1
O A:PRO175 4.0 12.0 0.2
OD2 A:ASP200 4.0 10.1 0.3
CA A:VAL198 4.0 15.8 0.1
CG A:ASP200 4.1 10.1 0.3
CA A:VAL198 4.1 15.2 0.1
O A:PRO175 4.1 13.9 0.2
CA A:CA302 4.1 28.7 0.3
O A:SER197 4.1 14.0 0.3
CG2 A:VAL198 4.1 17.2 0.2
CA A:VAL198 4.1 13.9 0.2
CA A:VAL198 4.1 12.8 0.3
O A:SER197 4.1 16.4 0.2
O A:PRO175 4.1 14.9 0.1
O A:SER197 4.2 12.3 0.2
C A:VAL198 4.2 14.4 0.1
CG2 A:VAL198 4.2 16.2 0.1
O A:LEU199 4.2 9.7 0.3
O A:VAL198 4.2 14.7 0.1
HG22 A:VAL198 4.2 17.2 0.3
O A:HOH482 4.2 17.4 0.1
O A:SER197 4.3 16.0 0.2
HB3 A:PRO175 4.3 16.7 0.2
O A:SER197 4.3 16.7 0.1
CA A:PRO175 4.4 10.6 0.2
HB3 A:PRO175 4.4 18.2 0.1
O A:HOH482 4.5 16.1 0.1
CG2 A:VAL198 4.5 14.4 0.3
CB A:PRO175 4.5 10.5 0.2
CG1 A:VAL198 4.5 14.6 0.1
HB A:VAL198 4.5 18.5 0.1
CA A:PRO175 4.6 13.4 0.2
HG12 A:VAL198 4.6 19.1 0.1
CA A:PRO175 4.6 14.8 0.1
HB3 A:PRO175 4.6 17.7 0.3
CA A:PRO175 4.6 14.0 0.3
HB A:VAL198 4.7 17.1 0.2
CA A:PRO175 4.7 14.4 0.2
HB3 A:PRO175 4.7 17.9 0.2
O A:LEU199 4.7 12.6 0.1
C A:PRO175 4.7 11.0 0.2
CB A:VAL198 4.7 16.6 0.2
C A:LEU199 4.7 9.9 0.3
O A:LEU199 4.7 12.3 0.2
C A:PRO175 4.7 14.2 0.2
C A:PRO175 4.8 13.9 0.3
HA A:ASP200 4.8 13.4 0.2
HA A:ASP200 4.8 13.3 0.1
CB A:VAL198 4.8 16.0 0.1
HA A:ASP200 4.8 11.6 0.3
HA A:ASP200 4.8 13.9 0.1
HA A:ASP200 4.8 11.9 0.1
O A:LEU199 4.8 10.3 0.2
C A:PRO175 4.8 13.1 0.2
N A:LEU199 4.8 13.8 0.2
HG12 A:VAL198 4.8 17.5 0.1
C A:LEU199 4.8 10.0 0.2
HG12 A:VAL198 4.8 17.6 0.2
CB A:VAL198 4.8 14.8 0.1
CB A:VAL198 4.9 15.4 0.1
C A:PRO175 4.9 14.6 0.1
HA A:ASP200 4.9 11.1 0.2
C A:LEU199 4.9 12.1 0.2
C A:LEU199 4.9 12.4 0.1
CB A:ASP200 4.9 8.3 0.2
N A:LEU199 4.9 11.1 0.2
CB A:ASP200 4.9 9.8 0.1
O A:LEU199 4.9 12.8 0.2
HG22 A:VAL198 4.9 18.1 0.1
HG21 A:VAL198 4.9 20.6 0.2
C A:LEU199 4.9 12.7 0.2
N A:LEU199 5.0 14.2 0.1
N A:LEU199 5.0 13.3 0.2
CB A:VAL198 5.0 14.2 0.2
CB A:PRO175 5.0 13.9 0.2
CB A:VAL198 5.0 13.7 0.3
HG3 A:PRO175 5.0 12.1 0.2

Calcium binding site 6 out of 6 in 8sqv

Go back to Calcium Binding Sites List in 8sqv
Calcium binding site 6 out of 6 in the Proteinase K Multiconformer Model at 333K


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 333K within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca302

b:34.1
occ:0.07
 CA A:CA302 0.0 34.1 0.1
O A:HOH545 0.5 27.4 0.2
CA A:CA302 0.7 50.3 0.2
O A:HOH545 0.8 14.1 0.1
O A:HOH545 1.0 68.9 0.3
O A:HOH545 1.2 45.8 0.3
CA A:CA302 2.2 15.2 0.2
OD1 A:ASP200 2.4 7.6 0.2
OD1 A:ASP200 2.5 9.8 0.1
O A:HOH542 2.7 55.3 1.0
OD1 A:ASP200 2.8 11.6 0.2
O A:HOH482 2.9 11.9 0.3
O A:HOH482 2.9 32.5 0.1
OD1 A:ASP200 3.0 11.5 0.1
CA A:CA302 3.0 19.8 0.1
OD1 A:ASP200 3.1 12.2 0.1
O A:HOH482 3.1 35.0 0.2
O A:HOH482 3.1 26.0 0.2
OD2 A:ASP200 3.2 11.9 0.1
HA A:PRO175 3.2 12.7 0.2
O A:VAL198 3.2 13.3 0.2
O A:VAL198 3.2 14.0 0.1
O A:HOH452 3.3 51.0 1.0
CA A:CA302 3.3 25.0 0.1
CG A:ASP200 3.3 9.7 0.1
CG A:ASP200 3.3 7.8 0.2
OD1 A:ASP200 3.3 10.9 0.3
O A:VAL198 3.3 15.7 0.1
OD2 A:ASP200 3.4 9.8 0.1
O A:VAL198 3.4 14.9 0.2
O A:PRO175 3.4 14.2 0.2
OD2 A:ASP200 3.4 11.2 0.1
O A:PRO175 3.4 15.2 0.3
OD2 A:ASP200 3.4 8.0 0.2
O A:VAL198 3.4 11.9 0.3
CG A:ASP200 3.4 11.9 0.1
HA A:PRO175 3.4 17.8 0.1
HA A:PRO175 3.5 16.1 0.2
CG A:ASP200 3.5 11.4 0.2
OD2 A:ASP200 3.5 11.8 0.2
O A:PRO175 3.5 12.0 0.2
CG A:ASP200 3.5 11.3 0.1
HA A:PRO175 3.5 16.8 0.3
HG13 A:VAL198 3.5 17.5 0.1
HA A:PRO175 3.6 17.3 0.2
CA A:CA302 3.6 28.7 0.3
O A:PRO175 3.6 13.9 0.2
HA A:VAL198 3.6 18.2 0.1
HA A:VAL198 3.6 19.2 0.2
HA A:VAL198 3.6 17.6 0.1
OD2 A:ASP200 3.6 10.1 0.3
O A:PRO175 3.6 14.9 0.1
HG23 A:VAL198 3.6 20.6 0.2
HA A:VAL198 3.7 19.0 0.1
HG22 A:VAL198 3.7 20.6 0.2
HB3 A:PRO175 3.7 12.7 0.2
O A:HOH482 3.7 17.4 0.1
HG23 A:VAL198 3.7 19.4 0.1
HA A:VAL198 3.7 15.3 0.3
HG22 A:VAL198 3.7 19.4 0.1
CG A:ASP200 3.7 10.1 0.3
HA A:VAL198 3.8 16.7 0.2
O A:HOH482 4.0 16.1 0.1
CA A:PRO175 4.0 10.6 0.2
HG23 A:VAL198 4.0 17.2 0.3
C A:VAL198 4.1 14.0 0.1
C A:VAL198 4.1 14.9 0.2
CG2 A:VAL198 4.1 17.2 0.2
C A:VAL198 4.1 13.1 0.2
C A:VAL198 4.1 11.8 0.3
HG22 A:VAL198 4.1 17.2 0.3
CG2 A:VAL198 4.2 16.2 0.1
O A:VAL198 4.2 14.7 0.1
C A:VAL198 4.2 15.7 0.1
C A:PRO175 4.2 11.0 0.2
CA A:PRO175 4.2 13.4 0.2
HB3 A:PRO175 4.2 16.7 0.2
CA A:PRO175 4.2 14.8 0.1
C A:PRO175 4.2 14.2 0.2
C A:PRO175 4.3 13.9 0.3
CA A:VAL198 4.3 16.0 0.2
CA A:PRO175 4.3 14.0 0.3
HB3 A:PRO175 4.3 18.2 0.1
CA A:PRO175 4.3 14.4 0.2
CA A:VAL198 4.3 14.7 0.1
CB A:PRO175 4.3 10.5 0.2
C A:VAL198 4.3 14.4 0.1
C A:PRO175 4.3 13.1 0.2
CA A:VAL198 4.3 15.2 0.1
CA A:VAL198 4.4 15.8 0.1
C A:PRO175 4.4 14.6 0.1
CA A:VAL198 4.4 12.8 0.3
CA A:VAL198 4.4 13.9 0.2
O A:LEU199 4.5 9.7 0.3
CG1 A:VAL198 4.5 14.6 0.1
HB3 A:PRO175 4.5 17.7 0.3
CG2 A:VAL198 4.5 14.4 0.3
O A:VAL177 4.5 10.0 0.1
O A:VAL177 4.5 5.8 0.1
O A:VAL177 4.5 11.0 0.1
HB3 A:PRO175 4.5 17.9 0.2
O A:VAL177 4.6 11.1 0.2
HB A:VAL198 4.6 18.5 0.1
O A:VAL177 4.6 11.1 0.3
O A:SER197 4.7 14.0 0.3
O A:VAL177 4.7 9.1 0.2
O A:SER197 4.7 16.4 0.2
HB A:VAL198 4.7 17.1 0.2
CB A:ASP200 4.7 8.3 0.2
CB A:ASP200 4.7 9.8 0.1
HG12 A:VAL198 4.7 17.5 0.1
O A:SER197 4.7 12.3 0.2
CB A:PRO175 4.8 13.9 0.2
HG12 A:VAL198 4.8 19.1 0.1
HG1 A:THR179 4.8 14.7 0.2
CB A:PRO175 4.8 15.1 0.1
CB A:ASP200 4.8 11.7 0.1
C A:LEU199 4.8 9.9 0.3
HA A:ASP200 4.8 13.4 0.2
HA A:ASP200 4.9 11.6 0.3
HA A:ASP200 4.9 13.3 0.1
CB A:ASP200 4.9 11.2 0.2
O A:SER197 4.9 16.0 0.2
CB A:VAL198 4.9 16.6 0.2
HA A:ASP200 4.9 13.9 0.1
HG21 A:VAL198 4.9 20.6 0.2
HA A:ASP200 4.9 11.9 0.1
CB A:ASP200 4.9 11.1 0.1
O A:SER197 4.9 16.7 0.1
HG21 A:VAL198 4.9 19.4 0.1
CB A:VAL198 4.9 16.0 0.1
HB2 A:PRO175 4.9 12.7 0.2
HG3 A:PRO175 5.0 12.1 0.2
HA A:ASP200 5.0 11.1 0.2
O A:LEU199 5.0 12.6 0.1
C A:LEU199 5.0 10.0 0.2
CB A:PRO175 5.0 14.7 0.3
CB A:VAL198 5.0 15.4 0.1
HB A:THR179 5.0 11.0 0.3
HB3 A:ASP200 5.0 10.0 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: Thu Dec 28 01:48:44 2023

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