Calcium in PDB 5cof: Crystal Structure of Uncharacterised Protein Q1R1X2 From Escherichia Coli UTI89

The structure of Crystal Structure of Uncharacterised Protein Q1R1X2 From Escherichia Coli UTI89, PDB code: 5cof was solved by J.D.Taylor, S.Hare, S.J.Matthews, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.29 / 1.35
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	46.860, 48.160, 80.220, 90.00, 90.00, 90.00
R / Rfree (%)	11.5 / 13.8

The structure of Crystal Structure of Uncharacterised Protein Q1R1X2 From Escherichia Coli UTI89 also contains other interesting chemical elements:

Chlorine	(Cl)	1 atom
Sodium	(Na)	1 atom

The binding sites of Calcium atom in the Crystal Structure of Uncharacterised Protein Q1R1X2 From Escherichia Coli UTI89 (pdb code 5cof). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Crystal Structure of Uncharacterised Protein Q1R1X2 From Escherichia Coli UTI89, PDB code: 5cof:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of Uncharacterised Protein Q1R1X2 From Escherichia Coli UTI89


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of Uncharacterised Protein Q1R1X2 From Escherichia Coli UTI89 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca203 b:12.3 occ:1.00 O A:GLY44 2.3 10.1 1.0 O A:HOH319 2.4 18.3 1.0 OE2 A:GLU46 2.4 14.9 1.0 C A:GLY44 3.4 8.5 1.0 CD A:GLU46 3.4 15.3 1.0 HA2 A:GLY44 3.6 8.9 1.0 OE1 A:GLU46 3.7 18.6 1.0 CA A:GLY44 3.9 8.3 1.0 HA3 A:GLY44 4.1 8.2 1.0 HA A:THR45 4.3 7.7 1.0 O A:HOH436 4.3 23.4 1.0 N A:THR45 4.5 8.1 1.0 O A:HOH375 4.5 12.9 1.0 O A:HOH548 4.7 19.4 1.0 CA A:THR45 4.8 7.5 1.0 CG A:GLU46 4.8 12.9 1.0 HG3 A:GLU46 4.8 13.7 1.0 C A:THR45 4.9 7.2 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of Uncharacterised Protein Q1R1X2 From Escherichia Coli UTI89


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure of Uncharacterised Protein Q1R1X2 From Escherichia Coli UTI89 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca204 b:15.3 occ:1.00 H A:ASP39 2.3 7.4 1.0 HA A:MSE38 2.7 8.5 0.4 HA A:MSE38 2.7 6.2 0.6 HE2 A:LYS162 2.9 23.1 1.0 O A:HOH418 3.0 18.4 1.0 O A:HOH372 3.0 10.5 1.0 HB2 A:TRP163 3.2 7.9 1.0 N A:ASP39 3.2 6.9 1.0 HG2 A:MSE38 3.2 17.5 0.4 HD1 A:TRP163 3.4 7.8 1.0 HA A:TRP163 3.5 8.8 1.0 HG2 A:LYS162 3.6 17.0 1.0 HB2 A:ASP39 3.6 10.2 1.0 CA A:MSE38 3.7 7.5 0.4 CA A:MSE38 3.7 5.9 0.6 O A:HOH420 3.8 15.1 1.0 CG A:ASP39 3.9 12.5 1.0 CE A:LYS162 3.9 22.8 1.0 C A:MSE38 3.9 6.8 1.0 CB A:TRP163 3.9 7.5 1.0 HB2 A:MSE38 4.0 5.6 0.6 O A:SER37 4.0 7.6 1.0 CB A:ASP39 4.0 9.8 1.0 CG A:MSE38 4.1 14.9 0.4 CA A:TRP163 4.1 8.1 1.0 OD2 A:ASP39 4.1 16.8 1.0 CD1 A:TRP163 4.2 7.1 1.0 OD1 A:ASP39 4.2 13.7 1.0 CA A:ASP39 4.2 7.6 1.0 HD3 A:LYS162 4.2 20.5 1.0 HG3 A:MSE38 4.3 16.4 0.4 CG A:LYS162 4.4 17.2 1.0 N A:TRP163 4.4 7.8 1.0 CD A:LYS162 4.4 19.9 1.0 CB A:MSE38 4.4 5.7 0.6 CB A:MSE38 4.4 11.7 0.4 HZ1 A:LYS162 4.4 24.8 1.0 HE3 A:LYS162 4.4 22.9 1.0 O A:HOH325 4.5 16.4 1.0 CG A:TRP163 4.5 6.5 1.0 O A:HOH567 4.5 33.7 1.0 H A:TRP163 4.5 8.5 1.0 NZ A:LYS162 4.6 24.3 1.0 HZ2 A:LYS162 4.7 25.0 1.0 HE2 A:MSE38 4.7 7.0 0.6 HB3 A:TRP163 4.7 8.0 1.0 HG3 A:MSE38 4.7 6.1 0.6 N A:MSE38 4.8 6.6 1.0 HE2 A:MSE38 4.8 20.1 0.4 HB3 A:MSE38 4.8 12.2 0.4 HA A:ASP39 4.8 7.9 1.0 C A:SER37 4.8 6.4 1.0 HB3 A:LYS162 4.8 13.4 1.0 O A:HOH363 4.9 12.2 1.0 C A:LYS162 5.0 9.4 1.0 O A:ARG159 5.0 6.5 1.0 HB3 A:ASP39 5.0 10.3 1.0

J.D.Taylor, G.Taylor, S.A.Hare, S.J.Matthews. Structures of the Dfsb Protein Family Suggest A Cationic, Helical Sibling Lethal Factor Peptide. J.Mol.Biol. V. 428 554 2016.
ISSN: ESSN 1089-8638
PubMed: 26804569
DOI: 10.1016/J.JMB.2016.01.013