Calcium in PDB 8spl: Proteinase K Multiconformer Model at 343K

All present enzymatic activity of Proteinase K Multiconformer Model at 343K:
3.4.21.64;

The structure of Proteinase K Multiconformer Model at 343K, PDB code: 8spl 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)	35.43 / 1.21
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	68.403, 68.403, 104.109, 90, 90, 90
R / Rfree (%)	17.5 / 20.9

The binding sites of Calcium atom in the Proteinase K Multiconformer Model at 343K (pdb code 8spl). 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 343K, PDB code: 8spl:
Jump to Calcium binding site number: 1; 2; 3; 4; 5; 6;

Calcium binding site 1 out of 6 in the Proteinase K Multiconformer Model at 343K


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 343K within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca302 b:15.7 occ:0.18 CA A:CA302 0.0 15.7 0.2 O A:HOH403 0.4 32.8 0.1 O A:HOH403 0.6 32.7 0.1 O A:HOH403 1.8 28.2 0.2 O A:HOH403 1.9 28.5 0.1 CA A:CA302 2.1 26.1 0.2 OD2 A:ASP200 2.1 6.0 0.1 OD2 A:ASP200 2.2 11.0 0.2 OD2 A:ASP200 2.2 10.0 0.1 O A:HOH403 2.3 29.6 0.2 O A:VAL177 2.3 10.2 0.1 O A:VAL177 2.3 10.2 0.1 O A:VAL177 2.3 9.3 0.2 OD2 A:ASP200 2.3 15.1 0.2 O A:VAL177 2.3 10.5 0.1 O A:HOH502 2.3 35.7 0.2 O A:VAL177 2.3 10.7 0.2 CA A:CA302 2.3 9.2 0.1 O A:PRO175 2.3 10.9 0.3 O A:HOH502 2.4 32.0 0.1 OD2 A:ASP200 2.4 9.2 0.1 O A:HOH502 2.4 37.6 0.2 O A:HOH502 2.4 28.9 0.1 OD1 A:ASP200 2.5 8.0 0.2 CA A:CA302 2.5 42.7 0.1 OD2 A:ASP200 2.6 6.7 0.2 O A:PRO175 2.6 13.6 0.3 O A:HOH502 2.6 29.5 0.1 O A:VAL177 2.6 8.8 0.2 O A:HOH502 2.6 33.0 0.2 OD1 A:ASP200 2.6 9.3 0.1 CA A:CA302 2.7 30.7 0.1 CG A:ASP200 2.8 9.2 0.1 CA A:CA302 2.8 22.0 0.2 OD1 A:ASP200 2.8 14.9 0.2 CG A:ASP200 2.8 6.0 0.1 CG A:ASP200 2.9 7.7 0.2 CG A:ASP200 2.9 11.0 0.2 CG A:ASP200 2.9 15.0 0.2 O A:PRO175 2.9 14.3 0.4 OD1 A:ASP200 2.9 10.8 0.2 CG A:ASP200 2.9 10.0 0.1 OD1 A:ASP200 3.0 5.9 0.1 OD1 A:ASP200 3.0 9.7 0.1 C A:PRO175 3.4 11.6 0.3 C A:VAL177 3.5 10.4 0.1 C A:VAL177 3.5 10.2 0.2 C A:VAL177 3.5 10.6 0.1 C A:VAL177 3.5 10.8 0.1 HA A:CYS178 3.5 12.4 1.0 C A:VAL177 3.5 11.0 0.2 C A:VAL177 3.6 9.8 0.2 C A:PRO175 3.6 13.9 0.3 HA A:PRO175 3.7 14.3 0.3 C A:PRO175 3.8 13.7 0.4 HA A:PRO175 3.9 17.0 0.3 HA A:PRO175 3.9 16.6 0.4 H A:THR179 3.9 12.9 0.2 H A:THR179 3.9 11.2 0.5 H A:THR179 3.9 12.1 0.3 H A:VAL177 4.1 15.1 0.1 CA A:PRO175 4.1 11.9 0.3 N A:VAL177 4.2 12.6 0.1 N A:VAL177 4.2 11.6 0.1 H A:VAL177 4.2 14.5 0.2 CB A:ASP200 4.2 8.8 0.1 N A:VAL177 4.2 10.9 0.1 O A:VAL198 4.2 10.5 0.2 CB A:ASP200 4.2 5.7 0.1 N A:VAL177 4.2 10.8 0.2 N A:VAL177 4.3 12.1 0.2 N A:VAL177 4.3 10.7 0.2 H A:VAL177 4.3 13.9 0.1 O A:VAL198 4.3 7.3 0.1 C A:SER176 4.3 12.1 0.3 CB A:ASP200 4.3 10.9 0.2 CA A:CYS178 4.3 10.4 1.0 CA A:PRO175 4.3 14.1 0.3 CB A:ASP200 4.4 14.8 0.2 HB3 A:ASP200 4.4 6.9 0.1 CB A:ASP200 4.4 7.9 0.2 O A:GLU174 4.4 12.1 0.1 N A:CYS178 4.4 10.6 1.0 CB A:ASP200 4.4 10.1 0.1 HB3 A:ASP200 4.4 10.6 0.1 O A:VAL198 4.4 16.4 0.2 CA A:PRO175 4.4 13.8 0.4 O A:VAL198 4.4 13.1 0.1 O A:GLU174 4.4 12.6 0.5 CA A:VAL177 4.5 10.7 0.1 N A:SER176 4.5 11.7 0.3 HB2 A:ASP200 4.5 6.9 0.1 CA A:VAL177 4.5 10.9 0.2 HB2 A:ASP200 4.5 10.6 0.1 CA A:VAL177 4.5 11.2 0.1 HB2 A:ASP200 4.5 13.1 0.2 C A:SER176 4.5 13.4 0.3 CA A:VAL177 4.5 11.5 0.1 HA A:SER176 4.5 16.9 0.3 HA A:SER176 4.5 15.0 0.3 HB2 A:ASP200 4.6 12.1 0.1 HG22 A:VAL198 4.6 15.0 0.2 CA A:VAL177 4.6 12.0 0.2 O A:GLU174 4.6 13.5 0.4 CA A:VAL177 4.6 10.4 0.2 N A:SER176 4.6 13.7 0.3 N A:THR179 4.6 10.1 0.3 N A:THR179 4.6 10.8 0.2 N A:THR179 4.6 9.3 0.5 HB2 A:ASP200 4.6 17.7 0.2 OG1 A:THR179 4.6 12.5 0.3 C A:SER176 4.6 12.3 0.4 HB3 A:ASP200 4.7 13.1 0.2 O A:SER176 4.7 12.4 0.3 N A:SER176 4.7 12.7 0.4 HB3 A:ASP200 4.7 17.7 0.2 CA A:SER176 4.7 12.5 0.3 HB3 A:ASP200 4.7 9.4 0.2 HG1 A:THR179 4.7 15.0 0.3 O A:HOH525 4.7 46.0 0.8 HB2 A:ASP200 4.7 9.4 0.2 O A:VAL198 4.7 11.3 0.2 SG A:CYS249 4.8 13.1 1.0 HB3 A:ASP200 4.8 12.1 0.1 CA A:SER176 4.8 14.1 0.3 HA A:SER176 4.8 15.4 0.4 HA A:VAL177 4.8 12.8 0.1 HG13 A:VAL198 4.8 17.2 0.1 HB A:THR179 4.9 14.2 0.3 O A:HOH525 4.9 38.0 0.2 HG22 A:VAL177 4.9 14.0 0.1 HB A:THR179 4.9 14.8 0.2 HG23 A:VAL177 4.9 14.0 0.1 OG1 A:THR179 4.9 10.5 0.5 O A:VAL198 4.9 14.9 0.1 OG1 A:THR179 5.0 12.5 0.2 CA A:SER176 5.0 12.8 0.4 HG23 A:VAL177 5.0 13.4 0.1 HB A:THR179 5.0 12.6 0.5

Calcium binding site 2 out of 6 in the Proteinase K Multiconformer Model at 343K


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 343K within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca302 b:9.2 occ:0.13 CA A:CA302 0.0 9.2 0.1 O A:HOH502 0.1 28.9 0.1 O A:HOH502 0.3 29.5 0.1 O A:HOH403 0.3 29.6 0.2 CA A:CA302 0.6 22.0 0.2 CA A:CA302 2.3 15.7 0.2 CA A:CA302 2.4 30.7 0.1 OD2 A:ASP200 2.5 9.2 0.1 HG22 A:VAL198 2.5 15.0 0.2 O A:VAL177 2.6 8.8 0.2 HG1 A:THR179 2.6 15.0 0.3 O A:HOH502 2.6 33.0 0.2 O A:HOH502 2.6 32.0 0.1 O A:HOH403 2.7 32.8 0.1 OD2 A:ASP200 2.7 11.0 0.2 OG1 A:THR179 2.8 12.5 0.3 O A:VAL177 2.9 10.5 0.1 O A:VAL177 2.9 10.2 0.1 OD2 A:ASP200 2.9 6.7 0.2 O A:GLU174 2.9 12.1 0.1 O A:VAL177 2.9 10.7 0.2 HG1 A:THR179 2.9 12.6 0.5 O A:HOH502 2.9 35.7 0.2 O A:HOH403 2.9 32.7 0.1 HG1 A:THR179 3.0 15.1 0.2 O A:VAL177 3.0 10.2 0.1 HA A:PRO175 3.0 14.3 0.3 OD2 A:ASP200 3.0 15.1 0.2 CA A:CA302 3.0 42.7 0.1 OD2 A:ASP200 3.0 10.0 0.1 O A:VAL198 3.0 10.5 0.2 OD2 A:ASP200 3.0 6.0 0.1 OG1 A:THR179 3.1 10.5 0.5 O A:GLU174 3.1 13.5 0.4 HA A:PRO175 3.1 17.0 0.3 OG1 A:THR179 3.1 12.5 0.2 O A:GLU174 3.1 12.6 0.5 O A:VAL198 3.1 16.4 0.2 HG22 A:VAL198 3.1 20.9 0.2 O A:VAL198 3.1 7.3 0.1 HG13 A:VAL198 3.1 17.2 0.1 HG22 A:VAL198 3.2 18.0 0.1 O A:VAL198 3.2 11.3 0.2 HA A:PRO175 3.2 16.6 0.4 O A:VAL198 3.2 13.1 0.1 O A:HOH502 3.2 37.6 0.2 O A:VAL177 3.2 9.3 0.2 O A:PRO175 3.3 10.9 0.3 O A:PRO175 3.3 13.6 0.3 CG2 A:VAL198 3.4 12.5 0.2 HB A:THR179 3.5 14.8 0.2 HG12 A:VAL198 3.5 17.2 0.1 HG23 A:VAL198 3.5 15.0 0.2 HB A:THR179 3.5 14.2 0.3 CG A:ASP200 3.5 9.2 0.1 H A:THR179 3.5 11.2 0.5 O A:VAL198 3.5 14.9 0.1 H A:THR179 3.5 12.9 0.2 HB A:THR179 3.5 12.6 0.5 H A:THR179 3.6 12.1 0.3 HG23 A:VAL198 3.7 20.9 0.2 CB A:THR179 3.7 11.9 0.3 OD1 A:ASP200 3.7 5.9 0.1 CA A:PRO175 3.7 11.9 0.3 C A:PRO175 3.7 11.6 0.3 CG1 A:VAL198 3.7 14.3 0.1 C A:PRO175 3.7 13.9 0.3 CG A:ASP200 3.8 6.0 0.1 OD1 A:ASP200 3.8 9.3 0.1 C A:VAL177 3.8 9.8 0.2 O A:PRO175 3.8 14.3 0.4 CA A:PRO175 3.8 14.1 0.3 CB A:THR179 3.8 12.3 0.2 CG A:ASP200 3.8 11.0 0.2 HG21 A:VAL198 3.8 15.0 0.2 HB A:VAL198 3.8 8.8 0.1 CB A:THR179 3.8 10.5 0.5 CG2 A:VAL198 3.8 17.4 0.2 HG22 A:VAL177 3.8 14.0 0.1 CG A:ASP200 3.9 7.7 0.2 HG23 A:VAL177 3.9 14.0 0.1 C A:VAL177 3.9 10.8 0.1 HG23 A:VAL177 3.9 13.4 0.1 O A:ALA172 3.9 13.7 0.4 CG A:ASP200 3.9 15.0 0.2 C A:VAL177 3.9 10.4 0.1 C A:VAL177 3.9 11.0 0.2 C A:GLU174 3.9 12.1 0.1 H A:VAL177 3.9 15.1 0.1 C A:VAL177 3.9 10.6 0.1 CA A:PRO175 3.9 13.8 0.4 C A:PRO175 4.0 13.7 0.4 H A:VAL177 4.0 14.5 0.2 HG22 A:VAL177 4.0 15.3 0.2 C A:GLU174 4.0 12.8 0.5 N A:THR179 4.0 10.8 0.2 C A:VAL177 4.0 10.2 0.2 N A:THR179 4.0 9.3 0.5 CG2 A:VAL198 4.0 15.0 0.1 N A:THR179 4.1 10.1 0.3 O A:HOH403 4.1 28.2 0.2 HB A:VAL198 4.1 12.4 0.2 C A:GLU174 4.1 13.8 0.4 HG23 A:VAL177 4.1 13.3 0.2 CG A:ASP200 4.1 10.0 0.1 OD1 A:ASP200 4.1 8.0 0.2 C A:VAL198 4.1 10.7 0.2 HG23 A:VAL177 4.1 15.3 0.2 OD1 A:ASP200 4.1 14.9 0.2 HG22 A:VAL177 4.1 13.4 0.1 O A:HOH403 4.1 28.5 0.1 HG23 A:VAL177 4.1 14.1 0.2 HG11 A:VAL198 4.1 17.2 0.1 C A:VAL198 4.2 7.3 0.1 HG23 A:VAL198 4.2 18.0 0.1 H A:VAL177 4.2 13.9 0.1 HG22 A:VAL177 4.2 13.3 0.2 HA A:CYS178 4.2 12.4 1.0 HA A:VAL198 4.3 8.8 0.1 C A:VAL198 4.3 16.5 0.2 OD1 A:ASP200 4.3 10.8 0.2 O A:ALA172 4.3 9.5 0.5 C A:VAL198 4.3 11.3 0.2 N A:PRO175 4.3 12.1 0.3 N A:VAL177 4.3 10.7 0.2 HA A:VAL198 4.3 13.9 0.2 CG2 A:VAL177 4.3 11.6 0.1 HG22 A:VAL177 4.3 14.1 0.2 CA A:CA302 4.4 26.1 0.2 N A:VAL177 4.4 10.9 0.1 HG21 A:VAL198 4.4 20.9 0.2 N A:VAL177 4.4 12.6 0.1 C A:VAL198 4.4 13.1 0.1 N A:PRO175 4.4 14.2 0.3 HG21 A:VAL198 4.4 18.0 0.1 O A:ALA172 4.5 13.8 0.1 N A:PRO175 4.5 13.6 0.4 CG2 A:VAL177 4.5 11.1 0.1 HG22 A:VAL177 4.5 11.9 0.1 N A:VAL177 4.5 12.1 0.2 N A:VAL177 4.5 11.6 0.1 OD1 A:ASP200 4.5 9.7 0.1 CB A:VAL198 4.5 12.2 0.2 HG13 A:VAL198 4.5 14.9 0.2 CA A:THR179 4.5 10.2 0.3 CG2 A:VAL177 4.5 12.8 0.2 HA A:VAL198 4.5 12.8 0.2 HA A:VAL198 4.6 20.4 0.2 CA A:THR179 4.6 11.5 0.2 N A:VAL177 4.6 10.8 0.2 CA A:VAL198 4.6 11.6 0.2 CA A:VAL198 4.6 7.3 0.1 CA A:THR179 4.6 9.2 0.5 CG2 A:VAL177 4.6 11.1 0.2 CA A:VAL177 4.6 10.4 0.2 C A:VAL198 4.6 14.7 0.1 HG23 A:VAL177 4.6 11.9 0.1 CB A:VAL198 4.6 7.3 0.1 O A:HOH525 4.6 38.0 0.2 CG2 A:VAL177 4.7 11.8 0.2 N A:CYS178 4.7 10.6 1.0 HG21 A:THR179 4.7 15.1 0.3 CA A:VAL177 4.7 11.5 0.1 CA A:VAL177 4.7 11.2 0.1 N A:SER176 4.7 13.7 0.3 CA A:VAL177 4.8 10.7 0.1 CA A:VAL177 4.8 12.0 0.2 CA A:CYS178 4.8 10.4 1.0 N A:SER176 4.8 11.7 0.3 C A:CYS178 4.8 10.3 1.0 HG13 A:VAL198 4.8 17.9 0.1 HA A:VAL198 4.8 16.4 0.1 N A:SER176 4.8 12.7 0.4 CA A:VAL198 4.8 17.0 0.2 CA A:VAL198 4.8 10.7 0.2 HG13 A:VAL198 4.8 20.9 0.2 CG2 A:THR179 4.8 12.6 0.3 CB A:ASP200 4.9 8.8 0.1 CB A:VAL198 4.9 10.3 0.2 CA A:VAL177 4.9 10.9 0.2 CB A:VAL198 4.9 17.3 0.2 O A:SER173 4.9 13.0 0.3 HB2 A:ASP200 4.9 10.6 0.1 HB2 A:ASP200 4.9 13.1 0.2 HG21 A:THR179 4.9 15.3 0.2 HG21 A:THR179 4.9 13.6 0.5 HA A:LEU199 5.0 18.5 0.0 HA A:LEU199 5.0 14.2 0.4 HG12 A:VAL198 5.0 8.9 0.1 CB A:VAL198 5.0 14.2 0.1 CG2 A:VAL177 5.0 9.9 0.1 CB A:ASP200 5.0 10.9 0.2

Calcium binding site 3 out of 6 in the Proteinase K Multiconformer Model at 343K


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 343K within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca302 b:26.1 occ:0.22 CA A:CA302 0.0 26.1 0.2 O A:HOH403 0.4 28.2 0.2 O A:HOH403 0.6 28.5 0.1 O A:HOH403 1.6 32.7 0.1 O A:HOH403 1.8 32.8 0.1 CA A:CA302 2.1 15.7 0.2 O A:VAL177 2.6 9.3 0.2 O A:VAL177 2.9 10.2 0.1 OD1 A:ASP200 2.9 8.0 0.2 O A:VAL177 2.9 10.2 0.1 O A:VAL177 3.0 10.7 0.2 O A:VAL177 3.0 10.5 0.1 O A:PRO175 3.0 10.9 0.3 OD2 A:ASP200 3.2 6.0 0.1 O A:PRO175 3.3 13.6 0.3 OD2 A:ASP200 3.4 10.0 0.1 O A:PRO175 3.4 14.3 0.4 OD2 A:ASP200 3.4 15.1 0.2 OD1 A:ASP200 3.4 9.7 0.1 OD2 A:ASP200 3.5 11.0 0.2 OD1 A:ASP200 3.5 14.9 0.2 OD1 A:ASP200 3.6 10.8 0.2 O A:VAL177 3.6 8.8 0.2 CG A:ASP200 3.6 10.0 0.1 CG A:ASP200 3.6 7.7 0.2 OD1 A:ASP200 3.6 9.3 0.1 C A:VAL177 3.6 10.2 0.2 CG A:ASP200 3.7 15.0 0.2 O A:SER176 3.7 12.4 0.3 O A:HOH502 3.7 37.6 0.2 C A:VAL177 3.7 10.4 0.1 CG A:ASP200 3.7 11.0 0.2 C A:VAL177 3.8 10.6 0.1 HA A:CYS178 3.8 12.4 1.0 HB3 A:CYS249 3.8 15.7 1.0 SG A:CYS249 3.8 13.1 1.0 CG A:ASP200 3.8 6.0 0.1 C A:VAL177 3.8 10.8 0.1 C A:VAL177 3.8 11.0 0.2 O A:HOH502 3.8 35.7 0.2 OD2 A:ASP200 3.8 6.7 0.2 OD2 A:ASP200 3.8 9.2 0.1 CG A:ASP200 3.9 9.2 0.1 C A:SER176 3.9 12.1 0.3 HA A:SER176 4.0 15.0 0.3 CA A:CA302 4.0 42.7 0.1 O A:HOH502 4.0 32.0 0.1 C A:VAL177 4.1 9.8 0.2 HA A:SER176 4.1 16.9 0.3 C A:SER176 4.2 13.4 0.3 C A:PRO175 4.2 11.6 0.3 OD1 A:ASP200 4.2 5.9 0.1 N A:VAL177 4.3 10.8 0.2 O A:HOH403 4.3 29.6 0.2 CB A:CYS249 4.3 13.0 1.0 N A:VAL177 4.3 11.6 0.1 O A:SER176 4.3 13.7 0.3 O A:HOH486 4.3 50.0 1.0 C A:SER176 4.3 12.3 0.4 HA A:SER176 4.3 15.4 0.4 N A:VAL177 4.4 12.6 0.1 CA A:CA302 4.4 9.2 0.1 HB3 A:ASP200 4.4 6.9 0.1 O A:HOH502 4.4 33.0 0.2 CA A:SER176 4.4 12.5 0.3 N A:VAL177 4.4 10.9 0.1 HA A:VAL177 4.4 12.8 0.1 O A:HOH502 4.4 28.9 0.1 CA A:VAL177 4.4 10.9 0.2 O A:SER176 4.4 12.6 0.4 N A:VAL177 4.4 12.1 0.2 C A:PRO175 4.4 13.9 0.3 CA A:VAL177 4.5 10.7 0.1 N A:CYS178 4.5 10.6 1.0 C A:PRO175 4.5 13.7 0.4 CA A:CYS178 4.5 10.4 1.0 CA A:CA302 4.5 30.7 0.1 HA A:VAL177 4.5 13.1 0.2 CA A:VAL177 4.6 11.2 0.1 O A:HOH502 4.6 29.5 0.1 N A:VAL177 4.6 10.7 0.2 HB2 A:CYS249 4.6 15.7 1.0 CA A:SER176 4.6 14.1 0.3 CB A:ASP200 4.6 5.7 0.1 CA A:VAL177 4.6 11.5 0.1 HB3 A:ASP200 4.7 10.6 0.1 CA A:VAL177 4.7 12.0 0.2 H A:VAL177 4.7 15.1 0.1 H A:VAL177 4.7 14.5 0.2 H A:VAL177 4.7 13.9 0.1 HB3 A:ASP200 4.8 9.4 0.2 HA A:VAL177 4.8 13.8 0.1 HA A:VAL177 4.8 13.5 0.1 HB3 A:ASP200 4.8 17.7 0.2 HB3 A:ASP200 4.8 12.1 0.1 CB A:ASP200 4.8 10.1 0.1 HA A:VAL177 4.8 14.3 0.2 CA A:SER176 4.8 12.8 0.4 N A:SER176 4.8 11.7 0.3 HB2 A:ASP200 4.8 6.9 0.1 CA A:VAL177 4.8 10.4 0.2 CB A:ASP200 4.8 7.9 0.2 CA A:CA302 4.8 22.0 0.2 CB A:ASP200 4.8 14.8 0.2 HB3 A:ASP200 4.9 13.1 0.2 CB A:ASP200 4.9 8.8 0.1 HA A:VAL177 4.9 12.5 0.2 O A:HOH451 4.9 24.0 1.0 O A:HOH442 4.9 31.3 1.0 CB A:ASP200 4.9 10.9 0.2 HB2 A:CYS178 5.0 12.9 1.0

Calcium binding site 4 out of 6 in the Proteinase K Multiconformer Model at 343K


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 343K within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca302 b:22.0 occ:0.20 CA A:CA302 0.0 22.0 0.2 O A:HOH502 0.3 29.5 0.1 CA A:CA302 0.6 9.2 0.1 O A:HOH502 0.6 28.9 0.1 O A:HOH403 0.7 29.6 0.2 HG1 A:THR179 2.0 15.0 0.3 OG1 A:THR179 2.2 12.5 0.3 HG22 A:VAL198 2.3 15.0 0.2 HG1 A:THR179 2.4 12.6 0.5 HG1 A:THR179 2.4 15.1 0.2 OG1 A:THR179 2.5 10.5 0.5 OG1 A:THR179 2.5 12.5 0.2 OD2 A:ASP200 2.6 9.2 0.1 O A:VAL177 2.7 8.8 0.2 CA A:CA302 2.8 30.7 0.1 CA A:CA302 2.8 15.7 0.2 HG22 A:VAL198 2.8 20.9 0.2 OD2 A:ASP200 2.9 11.0 0.2 O A:GLU174 2.9 12.1 0.1 O A:VAL198 2.9 11.3 0.2 O A:VAL198 2.9 10.5 0.2 O A:VAL198 3.0 16.4 0.2 OD2 A:ASP200 3.0 6.7 0.2 O A:HOH502 3.0 33.0 0.2 O A:VAL198 3.0 7.3 0.1 HG22 A:VAL198 3.0 18.0 0.1 HB A:THR179 3.0 14.8 0.2 O A:GLU174 3.1 13.5 0.4 O A:HOH502 3.1 32.0 0.1 HG13 A:VAL198 3.1 17.2 0.1 HB A:THR179 3.1 14.2 0.3 O A:VAL177 3.1 10.5 0.1 O A:VAL177 3.1 10.2 0.1 HB A:THR179 3.1 12.6 0.5 O A:GLU174 3.1 12.6 0.5 O A:VAL177 3.1 10.7 0.2 HG12 A:VAL198 3.1 17.2 0.1 O A:VAL198 3.1 13.1 0.1 OD2 A:ASP200 3.2 15.1 0.2 O A:VAL177 3.2 10.2 0.1 O A:HOH403 3.2 32.8 0.1 CB A:THR179 3.2 11.9 0.3 OD2 A:ASP200 3.2 10.0 0.1 OD2 A:ASP200 3.2 6.0 0.1 CG2 A:VAL198 3.3 12.5 0.2 CB A:THR179 3.3 12.3 0.2 O A:VAL198 3.3 14.9 0.1 H A:THR179 3.3 11.2 0.5 H A:THR179 3.3 12.9 0.2 CB A:THR179 3.3 10.5 0.5 HA A:PRO175 3.3 14.3 0.3 HA A:PRO175 3.4 17.0 0.3 O A:ALA172 3.4 13.7 0.4 O A:HOH502 3.4 35.7 0.2 H A:THR179 3.4 12.1 0.3 O A:HOH403 3.4 32.7 0.1 CA A:CA302 3.5 42.7 0.1 HG23 A:VAL198 3.5 15.0 0.2 O A:VAL177 3.5 9.3 0.2 CG1 A:VAL198 3.5 14.3 0.1 HB A:VAL198 3.5 8.8 0.1 HA A:PRO175 3.6 16.6 0.4 HG21 A:VAL198 3.6 15.0 0.2 HG23 A:VAL198 3.7 20.9 0.2 CG2 A:VAL198 3.7 17.4 0.2 HG23 A:VAL177 3.7 14.0 0.1 CG A:ASP200 3.7 9.2 0.1 HG23 A:VAL177 3.7 13.4 0.1 O A:HOH502 3.7 37.6 0.2 HG22 A:VAL177 3.8 14.0 0.1 O A:PRO175 3.8 10.9 0.3 O A:ALA172 3.8 9.5 0.5 N A:THR179 3.8 10.8 0.2 N A:THR179 3.8 9.3 0.5 HB A:VAL198 3.8 12.4 0.2 N A:THR179 3.8 10.1 0.3 HG23 A:VAL177 3.8 13.3 0.2 O A:PRO175 3.8 13.6 0.3 C A:VAL177 3.8 9.8 0.2 HG23 A:VAL177 3.9 15.3 0.2 HG11 A:VAL198 3.9 17.2 0.1 HG22 A:VAL177 3.9 15.3 0.2 CG2 A:VAL198 3.9 15.0 0.1 OD1 A:ASP200 3.9 5.9 0.1 O A:ALA172 3.9 13.8 0.1 CG A:ASP200 4.0 6.0 0.1 HG23 A:VAL177 4.0 14.1 0.2 C A:VAL198 4.0 10.7 0.2 C A:GLU174 4.0 12.1 0.1 CG A:ASP200 4.0 11.0 0.2 C A:VAL177 4.0 10.8 0.1 C A:VAL198 4.0 7.3 0.1 C A:VAL177 4.0 11.0 0.2 C A:VAL177 4.0 10.4 0.1 HG22 A:VAL177 4.0 13.4 0.1 CG A:ASP200 4.0 7.7 0.2 C A:VAL177 4.1 10.6 0.1 OD1 A:ASP200 4.1 9.3 0.1 CA A:PRO175 4.1 11.9 0.3 HG22 A:VAL177 4.1 13.3 0.2 C A:GLU174 4.1 12.8 0.5 C A:VAL198 4.1 16.5 0.2 C A:GLU174 4.1 13.8 0.4 CG A:ASP200 4.1 15.0 0.2 C A:VAL198 4.1 11.3 0.2 CA A:PRO175 4.1 14.1 0.3 HG13 A:VAL198 4.1 14.9 0.2 H A:VAL177 4.1 15.1 0.1 CA A:THR179 4.1 10.2 0.3 C A:PRO175 4.2 11.6 0.3 C A:PRO175 4.2 13.9 0.3 CA A:THR179 4.2 11.5 0.2 HG21 A:THR179 4.2 15.1 0.3 HG23 A:VAL198 4.2 18.0 0.1 CG2 A:VAL177 4.2 11.6 0.1 C A:VAL177 4.2 10.2 0.2 H A:VAL177 4.2 14.5 0.2 CA A:THR179 4.2 9.2 0.5 HG21 A:VAL198 4.2 20.9 0.2 HA A:VAL198 4.2 8.8 0.1 O A:PRO175 4.3 14.3 0.4 CA A:PRO175 4.3 13.8 0.4 C A:VAL198 4.3 13.1 0.1 HG21 A:VAL198 4.3 18.0 0.1 HG22 A:VAL177 4.3 14.1 0.2 HA A:CYS178 4.3 12.4 1.0 CG2 A:THR179 4.3 12.6 0.3 CG2 A:VAL177 4.3 11.1 0.1 CB A:VAL198 4.3 12.2 0.2 CG A:ASP200 4.3 10.0 0.1 HA A:VAL198 4.4 13.9 0.2 CB A:VAL198 4.4 7.3 0.1 HG22 A:VAL177 4.4 11.9 0.1 H A:VAL177 4.4 13.9 0.1 CG2 A:VAL177 4.4 12.8 0.2 HG21 A:THR179 4.4 13.6 0.5 C A:PRO175 4.4 13.7 0.4 HG21 A:THR179 4.4 15.3 0.2 CG2 A:VAL177 4.4 11.1 0.2 HG13 A:VAL198 4.4 17.9 0.1 OD1 A:ASP200 4.4 14.9 0.2 HG23 A:VAL177 4.4 11.9 0.1 OD1 A:ASP200 4.4 8.0 0.2 HG13 A:VAL198 4.4 20.9 0.2 CA A:VAL198 4.5 7.3 0.1 C A:VAL198 4.5 14.7 0.1 CG2 A:THR179 4.5 12.8 0.2 CA A:VAL198 4.5 11.6 0.2 CG2 A:THR179 4.5 11.3 0.5 N A:VAL177 4.5 10.7 0.2 N A:PRO175 4.5 12.1 0.3 HA A:VAL198 4.5 12.8 0.2 O A:HOH403 4.5 28.2 0.2 HA A:VAL198 4.6 20.4 0.2 OD1 A:ASP200 4.6 10.8 0.2 C A:CYS178 4.6 10.3 1.0 N A:PRO175 4.6 14.2 0.3 CG2 A:VAL177 4.6 11.8 0.2 C A:ALA172 4.6 13.4 0.4 HA A:THR179 4.6 12.2 0.3 N A:VAL177 4.6 10.9 0.1 O A:HOH403 4.6 28.5 0.1 N A:VAL177 4.6 12.6 0.1 CB A:VAL198 4.6 10.3 0.2 N A:PRO175 4.7 13.6 0.4 HA A:LEU199 4.7 18.5 0.0 HA A:THR179 4.7 13.8 0.2 CB A:VAL198 4.7 17.3 0.2 CA A:VAL177 4.7 10.4 0.2 HA A:LEU199 4.7 14.2 0.4 CA A:VAL198 4.7 10.7 0.2 N A:VAL177 4.7 12.1 0.2 HA A:THR179 4.7 11.1 0.5 N A:CYS178 4.7 10.6 1.0 CA A:VAL198 4.7 17.0 0.2 CG1 A:VAL198 4.7 12.4 0.2 H A:GLU174 4.7 13.1 0.5 N A:VAL177 4.7 11.6 0.1 CA A:CYS178 4.8 10.4 1.0 HG23 A:THR179 4.8 15.1 0.3 O A:SER173 4.8 13.0 0.3 HA A:LEU199 4.8 10.7 0.2 C A:SER173 4.8 13.2 0.3 CB A:VAL198 4.8 14.2 0.1 HG21 A:VAL177 4.8 14.0 0.1 N A:VAL177 4.8 10.8 0.2 N A:GLU174 4.8 10.9 0.5 HA A:LEU199 4.8 13.6 0.3 OD1 A:ASP200 4.8 9.7 0.1 HA A:VAL198 4.8 16.4 0.1 CA A:VAL177 4.8 11.5 0.1 CA A:CA302 4.8 26.1 0.2 CG2 A:VAL177 4.9 9.9 0.1 HG12 A:VAL198 4.9 8.9 0.1 CA A:VAL177 4.9 11.2 0.1 HB2 A:ASP200 4.9 10.6 0.1 HB2 A:ASP200 4.9 13.1 0.2 CA A:VAL177 4.9 12.0 0.2 CA A:VAL177 4.9 10.7 0.1 HG21 A:VAL157 4.9 13.4 0.4 CB A:ASP200 4.9 8.8 0.1 C A:ALA172 4.9 9.2 0.5 N A:GLU174 5.0 12.6 0.1 O A:HOH525 5.0 38.0 0.2 CB A:VAL198 5.0 14.9 0.1 CA A:VAL198 5.0 13.6 0.1 HA A:SER173 5.0 16.0 0.3 C A:ALA172 5.0 13.7 0.1

Calcium binding site 5 out of 6 in the Proteinase K Multiconformer Model at 343K


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 343K within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca302 b:30.7 occ:0.13 CA A:CA302 0.0 30.7 0.1 O A:HOH502 0.4 33.0 0.2 O A:HOH502 0.7 32.0 0.1 CA A:CA302 1.0 42.7 0.1 O A:HOH502 1.1 35.7 0.2 O A:HOH502 1.4 37.6 0.2 CA A:CA302 2.4 9.2 0.1 O A:HOH502 2.5 28.9 0.1 O A:VAL198 2.5 10.5 0.2 O A:VAL198 2.5 7.3 0.1 O A:VAL198 2.6 13.1 0.1 O A:HOH502 2.6 29.5 0.1 O A:HOH403 2.6 29.6 0.2 O A:VAL198 2.6 16.4 0.2 OD1 A:ASP200 2.7 5.9 0.1 HG13 A:VAL198 2.7 17.2 0.1 O A:HOH525 2.7 38.0 0.2 CA A:CA302 2.7 15.7 0.2 HA A:VAL198 2.7 13.9 0.2 CA A:CA302 2.8 22.0 0.2 HG22 A:VAL198 2.8 15.0 0.2 OD1 A:ASP200 2.8 9.3 0.1 O A:HOH403 2.9 32.8 0.1 HG23 A:VAL198 2.9 15.0 0.2 HA A:VAL198 3.0 8.8 0.1 O A:HOH403 3.0 32.7 0.1 HA A:PRO175 3.0 14.3 0.3 O A:VAL198 3.0 14.9 0.1 HA A:VAL198 3.1 20.4 0.2 O A:VAL198 3.1 11.3 0.2 HG22 A:VAL198 3.1 18.0 0.1 HG23 A:VAL198 3.1 20.9 0.2 HA A:VAL198 3.1 12.8 0.2 HA A:VAL198 3.2 16.4 0.1 HA A:PRO175 3.2 17.0 0.3 OD2 A:ASP200 3.2 9.2 0.1 OD1 A:ASP200 3.2 14.9 0.2 OD2 A:ASP200 3.2 11.0 0.2 CG2 A:VAL198 3.3 12.5 0.2 HA A:PRO175 3.3 16.6 0.4 C A:VAL198 3.3 10.7 0.2 HG23 A:VAL198 3.3 18.0 0.1 C A:VAL198 3.3 7.3 0.1 CG A:ASP200 3.3 9.2 0.1 OD2 A:ASP200 3.4 10.0 0.1 OD1 A:ASP200 3.4 10.8 0.2 CA A:VAL198 3.4 11.6 0.2 O A:HOH525 3.4 46.0 0.8 HG22 A:VAL198 3.4 20.9 0.2 C A:VAL198 3.5 13.1 0.1 CG A:ASP200 3.5 6.0 0.1 C A:VAL198 3.5 16.5 0.2 HA A:VAL198 3.5 17.5 0.1 OD2 A:ASP200 3.5 6.0 0.1 OD2 A:ASP200 3.5 6.7 0.2 OD1 A:ASP200 3.5 9.7 0.1 OD2 A:ASP200 3.6 15.1 0.2 CG1 A:VAL198 3.6 14.3 0.1 O A:PRO175 3.6 10.9 0.3 CA A:VAL198 3.6 7.3 0.1 OD1 A:ASP200 3.6 8.0 0.2 O A:PRO175 3.6 13.6 0.3 CG2 A:VAL198 3.6 15.0 0.1 CG A:ASP200 3.6 11.0 0.2 C A:VAL198 3.6 14.7 0.1 C A:VAL198 3.7 11.3 0.2 CG2 A:VAL198 3.7 17.4 0.2 CG A:ASP200 3.7 15.0 0.2 CA A:VAL198 3.7 17.0 0.2 O A:HOH492 3.7 46.6 1.0 HG12 A:VAL198 3.7 17.2 0.1 CA A:VAL198 3.8 13.6 0.1 CG A:ASP200 3.8 10.0 0.1 CA A:VAL198 3.8 10.7 0.2 CG A:ASP200 3.9 7.7 0.2 CA A:PRO175 3.9 11.9 0.3 O A:PRO175 3.9 14.3 0.4 CB A:VAL198 3.9 12.2 0.2 HB A:VAL198 4.0 8.8 0.1 HB A:VAL198 4.0 12.4 0.2 CA A:VAL198 4.0 14.6 0.1 CA A:PRO175 4.0 14.1 0.3 HG21 A:VAL198 4.1 15.0 0.2 CA A:PRO175 4.2 13.8 0.4 C A:PRO175 4.2 11.6 0.3 HG11 A:VAL198 4.2 17.2 0.1 O A:HOH403 4.2 28.5 0.1 HB3 A:PRO175 4.2 17.1 0.3 O A:LEU199 4.2 9.5 0.3 HG12 A:VAL198 4.2 12.6 0.2 CB A:VAL198 4.3 14.2 0.1 HB3 A:PRO175 4.3 14.5 0.3 C A:PRO175 4.3 13.9 0.3 O A:HOH403 4.3 28.2 0.2 O A:SER197 4.3 12.0 0.3 CB A:VAL198 4.4 17.3 0.2 HG1 A:THR179 4.4 15.0 0.3 CB A:VAL198 4.4 7.3 0.1 HG21 A:VAL198 4.4 18.0 0.1 CB A:VAL198 4.4 10.3 0.2 O A:SER197 4.4 17.6 0.1 CB A:VAL198 4.5 14.9 0.1 C A:PRO175 4.5 13.7 0.4 HG21 A:VAL198 4.5 20.9 0.2 N A:LEU199 4.5 9.8 0.2 HB3 A:PRO175 4.5 17.0 0.4 CA A:CA302 4.5 26.1 0.2 O A:SER197 4.5 10.3 0.3 O A:VAL177 4.5 8.8 0.2 HG12 A:VAL198 4.5 8.9 0.1 CB A:PRO175 4.6 12.1 0.3 HB A:THR179 4.6 14.2 0.3 O A:VAL177 4.6 10.2 0.1 HB A:VAL198 4.6 14.7 0.2 O A:VAL177 4.6 10.5 0.1 O A:GLU174 4.6 12.1 0.1 O A:VAL177 4.6 10.7 0.2 HB A:THR179 4.6 14.8 0.2 N A:LEU199 4.6 12.3 0.4 O A:VAL177 4.6 10.2 0.1 HG22 A:VAL198 4.6 17.2 0.1 N A:LEU199 4.6 15.9 0.0 N A:VAL198 4.6 11.9 0.2 C A:LEU199 4.6 10.4 0.3 HB A:THR179 4.7 12.6 0.5 CB A:PRO175 4.7 14.3 0.3 N A:LEU199 4.7 11.3 0.3 OG1 A:THR179 4.7 12.5 0.3 HB2 A:PRO175 4.7 14.5 0.3 O A:SER197 4.7 14.0 0.3 O A:GLU174 4.7 13.5 0.4 C A:LEU199 4.8 8.7 0.2 CB A:ASP200 4.8 8.8 0.1 O A:GLU174 4.8 12.6 0.5 O A:VAL177 4.8 9.3 0.2 HG1 A:THR179 4.8 12.6 0.5 N A:VAL198 4.8 7.4 0.1 HG1 A:THR179 4.8 15.1 0.2 C A:LEU199 4.8 11.5 0.4 C A:LEU199 4.8 15.1 0.0 HG13 A:VAL198 4.8 14.9 0.2 O A:LEU199 4.8 8.6 0.2 N A:ASP200 4.8 8.3 0.1 O A:LEU199 4.9 15.1 0.0 CG1 A:VAL198 4.9 10.5 0.2 CB A:ASP200 4.9 5.7 0.1 HA A:LEU199 4.9 14.2 0.4 O A:LEU199 4.9 11.5 0.4 N A:VAL198 4.9 17.3 0.2 HA A:ASP200 4.9 10.0 0.1 C A:SER197 4.9 12.0 0.3 N A:ASP200 4.9 8.3 0.2 H A:THR179 4.9 11.2 0.5 CB A:PRO175 4.9 14.2 0.4 H A:THR179 4.9 12.9 0.2 HG13 A:VAL198 5.0 17.9 0.1 N A:ASP200 5.0 10.8 0.1 N A:PRO175 5.0 12.1 0.3 HA A:ASP200 5.0 12.8 0.2 HA A:ASP200 5.0 9.5 0.2 H A:THR179 5.0 12.1 0.3 CB A:ASP200 5.0 10.9 0.2 HB A:VAL198 5.0 20.8 0.2

Calcium binding site 6 out of 6 in the Proteinase K Multiconformer Model at 343K


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 343K within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca302 b:42.7 occ:0.14 CA A:CA302 0.0 42.7 0.1 O A:HOH502 0.2 35.7 0.2 O A:HOH502 0.5 32.0 0.1 O A:HOH502 0.5 37.6 0.2 O A:HOH502 0.7 33.0 0.2 CA A:CA302 1.0 30.7 0.1 CA A:CA302 2.5 15.7 0.2 O A:HOH403 2.6 32.8 0.1 OD1 A:ASP200 2.6 9.3 0.1 OD1 A:ASP200 2.6 5.9 0.1 O A:HOH525 2.6 38.0 0.2 O A:HOH403 2.6 32.7 0.1 O A:HOH525 2.8 46.0 0.8 OD1 A:ASP200 2.9 14.9 0.2 CA A:CA302 3.0 9.2 0.1 OD1 A:ASP200 3.1 10.8 0.2 O A:HOH502 3.1 28.9 0.1 OD1 A:ASP200 3.1 9.7 0.1 O A:HOH403 3.2 29.6 0.2 HA A:PRO175 3.2 14.3 0.3 O A:HOH502 3.3 29.5 0.1 OD1 A:ASP200 3.3 8.0 0.2 O A:VAL198 3.3 10.5 0.2 O A:PRO175 3.3 10.9 0.3 O A:VAL198 3.3 7.3 0.1 HA A:VAL198 3.4 13.9 0.2 O A:VAL198 3.4 13.1 0.1 O A:PRO175 3.4 13.6 0.3 O A:HOH492 3.4 46.6 1.0 CG A:ASP200 3.4 9.2 0.1 HA A:PRO175 3.4 17.0 0.3 OD2 A:ASP200 3.4 11.0 0.2 HA A:PRO175 3.4 16.6 0.4 CG A:ASP200 3.4 6.0 0.1 OD2 A:ASP200 3.5 10.0 0.1 CA A:CA302 3.5 22.0 0.2 O A:VAL198 3.5 16.4 0.2 OD2 A:ASP200 3.5 9.2 0.1 HG13 A:VAL198 3.5 17.2 0.1 OD2 A:ASP200 3.6 6.0 0.1 CG A:ASP200 3.6 11.0 0.2 HG23 A:VAL198 3.6 15.0 0.2 O A:PRO175 3.6 14.3 0.4 CG A:ASP200 3.7 10.0 0.1 CG A:ASP200 3.7 15.0 0.2 HA A:VAL198 3.7 8.8 0.1 O A:HOH403 3.7 28.5 0.1 OD2 A:ASP200 3.7 15.1 0.2 HA A:VAL198 3.7 20.4 0.2 HA A:VAL198 3.7 16.4 0.1 HG22 A:VAL198 3.7 15.0 0.2 OD2 A:ASP200 3.8 6.7 0.2 HA A:VAL198 3.8 12.8 0.2 O A:HOH403 3.8 28.2 0.2 CG A:ASP200 3.9 7.7 0.2 HG23 A:VAL198 3.9 20.9 0.2 O A:VAL198 3.9 14.9 0.1 O A:VAL198 4.0 11.3 0.2 CA A:PRO175 4.0 11.9 0.3 HG23 A:VAL198 4.0 18.0 0.1 HG22 A:VAL198 4.0 18.0 0.1 C A:VAL198 4.0 10.7 0.2 CA A:CA302 4.0 26.1 0.2 HA A:VAL198 4.1 17.5 0.1 HB3 A:PRO175 4.1 17.1 0.3 C A:PRO175 4.1 11.6 0.3 CA A:VAL198 4.1 11.6 0.2 C A:VAL198 4.1 7.3 0.1 CG2 A:VAL198 4.1 12.5 0.2 CA A:PRO175 4.2 14.1 0.3 C A:VAL198 4.2 13.1 0.1 HB3 A:PRO175 4.2 14.5 0.3 C A:PRO175 4.2 13.9 0.3 CA A:PRO175 4.2 13.8 0.4 C A:VAL198 4.3 16.5 0.2 HB3 A:PRO175 4.3 17.0 0.4 C A:PRO175 4.4 13.7 0.4 C A:VAL198 4.4 14.7 0.1 HG22 A:VAL198 4.4 20.9 0.2 CA A:VAL198 4.4 7.3 0.1 HB2 A:PRO175 4.4 14.5 0.3 CB A:PRO175 4.4 12.1 0.3 CA A:VAL198 4.4 13.6 0.1 CG2 A:VAL198 4.4 15.0 0.1 CA A:VAL198 4.5 17.0 0.2 CG1 A:VAL198 4.5 14.3 0.1 C A:VAL198 4.5 11.3 0.2 O A:LEU199 4.5 9.5 0.3 O A:SER197 4.6 12.0 0.3 CG2 A:VAL198 4.6 17.4 0.2 CA A:VAL198 4.6 10.7 0.2 CB A:PRO175 4.6 14.3 0.3 O A:SER197 4.7 17.6 0.1 O A:VAL177 4.7 10.2 0.1 CA A:VAL198 4.7 14.6 0.1 O A:VAL177 4.7 10.5 0.1 O A:VAL177 4.7 10.2 0.1 HG12 A:VAL198 4.7 17.2 0.1 O A:VAL177 4.7 10.7 0.2 O A:VAL177 4.8 9.3 0.2 O A:VAL177 4.8 8.8 0.2 CB A:VAL198 4.8 12.2 0.2 O A:SER197 4.8 10.3 0.3 CB A:ASP200 4.8 5.7 0.1 CB A:ASP200 4.8 8.8 0.1 CB A:PRO175 4.9 14.2 0.4 HG12 A:VAL198 4.9 12.6 0.2 O A:SER197 4.9 14.0 0.3 HB A:VAL198 4.9 12.4 0.2 HA A:ASP200 4.9 9.5 0.2 HA A:ASP200 4.9 10.0 0.1 HG21 A:VAL198 4.9 15.0 0.2 HB A:VAL198 4.9 8.8 0.1 HA A:ASP200 5.0 12.8 0.2 HB3 A:ASP200 5.0 6.9 0.1

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