Chlorine in PDB 4gbf: Crystal Structure of the C-Terminal Domain of GP131 From Bacteriophage Phikz

The structure of Crystal Structure of the C-Terminal Domain of GP131 From Bacteriophage Phikz, PDB code: 4gbf was solved by L.V.Sycheva, M.M.Shneider, P.G.Leiman, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.18 / 1.95
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	79.449, 86.353, 97.362, 90.00, 90.00, 90.00
R / Rfree (%)	16.1 / 19.9

The structure of Crystal Structure of the C-Terminal Domain of GP131 From Bacteriophage Phikz also contains other interesting chemical elements:

Magnesium

(Mg)

5 atoms

The binding sites of Chlorine atom in the Crystal Structure of the C-Terminal Domain of GP131 From Bacteriophage Phikz (pdb code 4gbf). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of the C-Terminal Domain of GP131 From Bacteriophage Phikz, PDB code: 4gbf:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of the C-Terminal Domain of GP131 From Bacteriophage Phikz


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of the C-Terminal Domain of GP131 From Bacteriophage Phikz within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl801 b:25.5 occ:1.00 O A:HOH980 3.1 29.9 1.0 N A:TYR464 3.2 16.4 1.0 O A:HOH981 3.4 29.5 1.0 N A:GLY465 3.5 24.4 1.0 O A:HOH913 3.5 24.0 1.0 CB A:HIS462 3.6 14.4 1.0 N A:ARG463 3.8 17.7 1.0 CB A:TYR464 3.9 20.5 1.0 CA A:TYR464 3.9 19.7 1.0 CE A:LYS510 4.0 26.8 1.0 CD2 A:TYR464 4.0 23.5 1.0 CB A:ARG463 4.1 16.5 1.0 C A:ARG463 4.2 18.2 1.0 C A:TYR464 4.2 21.9 1.0 CA A:ARG463 4.3 15.8 1.0 C A:HIS462 4.4 16.8 1.0 O A:HOH906 4.4 20.9 1.0 CG A:TYR464 4.4 23.2 1.0 CA A:GLY465 4.4 22.6 1.0 CG A:HIS462 4.5 19.0 1.0 NZ A:LYS510 4.5 30.4 1.0 ND1 A:HIS462 4.5 20.9 1.0 CB A:GLU486 4.6 31.4 1.0 CA A:HIS462 4.6 15.4 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of the C-Terminal Domain of GP131 From Bacteriophage Phikz


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of the C-Terminal Domain of GP131 From Bacteriophage Phikz within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl802 b:32.0 occ:1.00 O A:HOH1015 2.8 29.5 1.0 O A:HOH925 3.0 26.2 1.0 N A:TRP753 3.2 21.3 1.0 N A:PHE742 3.3 21.0 1.0 CB A:PHE742 3.7 23.0 1.0 CB A:TRP753 3.8 22.2 1.0 CA A:LEU752 3.9 20.8 1.0 C A:LEU752 4.1 20.5 1.0 CA A:PHE742 4.1 21.6 1.0 CA A:TRP753 4.1 20.5 1.0 CA A:MET741 4.2 19.2 1.0 CG A:MET741 4.2 28.9 1.0 CB A:LEU752 4.2 23.2 1.0 O A:PHE742 4.2 21.1 1.0 C A:MET741 4.2 20.3 1.0 CD2 A:LEU752 4.3 24.6 1.0 C A:PHE742 4.7 21.0 1.0 N A:ASN754 4.7 24.1 1.0 CB A:MET741 4.7 20.1 1.0 O A:VAL740 4.9 22.8 1.0 CG A:LEU752 4.9 25.9 1.0 C A:TRP753 4.9 23.9 1.0 CG A:PHE742 4.9 22.3 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of the C-Terminal Domain of GP131 From Bacteriophage Phikz


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of the C-Terminal Domain of GP131 From Bacteriophage Phikz within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl801 b:23.4 occ:1.00 O B:HOH979 3.0 25.6 1.0 O B:HOH939 3.2 27.1 1.0 N B:TYR464 3.3 17.8 1.0 O B:HOH934 3.4 23.2 1.0 N B:GLY465 3.4 19.4 1.0 CB B:HIS462 3.5 15.1 1.0 CE B:LYS510 3.8 23.0 1.0 CB B:TYR464 3.8 19.3 1.0 CA B:TYR464 3.9 18.2 1.0 N B:ARG463 3.9 13.7 1.0 CD2 B:TYR464 4.1 24.5 1.0 C B:TYR464 4.2 20.2 1.0 CB B:ARG463 4.3 17.5 1.0 C B:ARG463 4.3 19.5 1.0 CA B:GLY465 4.3 16.0 1.0 O B:HOH919 4.4 21.0 1.0 CG B:TYR464 4.4 21.6 1.0 CA B:ARG463 4.4 16.8 1.0 NZ B:LYS510 4.4 22.4 1.0 CG B:HIS462 4.4 19.0 1.0 C B:HIS462 4.4 14.4 1.0 ND1 B:HIS462 4.4 22.1 1.0 CB B:GLU486 4.6 33.5 1.0 CA B:HIS462 4.6 15.6 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of the C-Terminal Domain of GP131 From Bacteriophage Phikz


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of the C-Terminal Domain of GP131 From Bacteriophage Phikz within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl802 b:26.2 occ:1.00 O B:HOH942 3.0 28.9 1.0 N B:TRP753 3.3 19.5 1.0 N B:PHE742 3.3 21.8 1.0 CB B:TRP753 3.7 19.4 1.0 CB B:PHE742 3.8 18.4 1.0 CA B:MET741 3.9 17.3 1.0 O B:HOH1155 3.9 41.1 1.0 C B:MET741 4.1 18.1 1.0 CA B:TRP753 4.1 19.4 1.0 CA B:LEU752 4.1 24.1 1.0 CA B:PHE742 4.1 20.7 1.0 C B:LEU752 4.2 20.5 1.0 CD2 B:LEU752 4.2 26.2 1.0 O B:PHE742 4.3 21.1 1.0 O B:HOH1154 4.3 54.8 1.0 CB B:LEU752 4.4 25.8 1.0 N B:ASN754 4.5 25.1 1.0 O B:VAL740 4.5 16.9 1.0 O B:HOH1183 4.6 52.0 1.0 CB B:MET741 4.6 18.5 1.0 C B:PHE742 4.8 23.1 1.0 C B:TRP753 4.8 20.7 1.0 CG B:LEU752 4.9 28.1 1.0 N B:MET741 5.0 18.9 1.0

L.V.Sycheva, M.M.Shneider, N.N.Sykilinda, M.A.Ivanova, K.A.Miroshnikov, P.G.Leiman. Crystal Structure and Location of GP131 in the Bacteriophage Phikz Virion. Virology V. 434 257 2012.
ISSN: ISSN 0042-6822
PubMed: 23031178
DOI: 10.1016/J.VIROL.2012.09.001