Chlorine in PDB 3vzx: Crystal Structure of Pcrb From Bacillus Subtilis Subap. Subtilis Str. 168

The structure of Crystal Structure of Pcrb From Bacillus Subtilis Subap. Subtilis Str. 168, PDB code: 3vzx was solved by F.Ren, X.Feng, T.P.Ko, C.H.Huang, Y.Hu, H.C.Chan, Y.L.Liu, K.Wang, C.C.Chen, X.Pang, M.He, Y.Li, E.Oldfield, R.T.Guo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.57 / 1.54
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	54.116, 55.953, 77.271, 90.00, 108.46, 90.00
R / Rfree (%)	18.2 / 22.5

The structure of Crystal Structure of Pcrb From Bacillus Subtilis Subap. Subtilis Str. 168 also contains other interesting chemical elements:

Magnesium

(Mg)

10 atoms

The binding sites of Chlorine atom in the Crystal Structure of Pcrb From Bacillus Subtilis Subap. Subtilis Str. 168 (pdb code 3vzx). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the Crystal Structure of Pcrb From Bacillus Subtilis Subap. Subtilis Str. 168, PDB code: 3vzx:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in the Crystal Structure of Pcrb From Bacillus Subtilis Subap. Subtilis Str. 168


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 Pcrb From Bacillus Subtilis Subap. Subtilis Str. 168 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl707 b:14.3 occ:1.00 O A:HOH825 3.2 14.4 1.0 N A:LEU59 3.2 12.5 1.0 O A:HOH826 3.4 15.5 1.0 CG A:LEU59 3.8 15.0 1.0 CA A:PHE58 3.8 12.3 1.0 CB A:LEU59 3.9 14.8 1.0 CD1 A:PHE58 4.0 12.7 1.0 C A:PHE58 4.0 11.6 1.0 CB A:PHE58 4.1 10.1 1.0 CA A:LEU59 4.2 12.2 1.0 CD1 A:LEU59 4.2 15.8 1.0 CG A:PHE58 4.6 12.6 1.0 CG A:GLU29 4.7 14.9 1.0 N A:VAL60 5.0 11.2 1.0

Chlorine binding site 2 out of 5 in the Crystal Structure of Pcrb From Bacillus Subtilis Subap. Subtilis Str. 168


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 Pcrb From Bacillus Subtilis Subap. Subtilis Str. 168 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl708 b:29.6 occ:1.00 O A:HOH838 2.7 26.4 1.0 N A:ASP3 3.1 15.1 1.0 O A:HOH821 3.2 12.0 1.0 O A:HOH970 3.4 32.2 1.0 CA A:TYR2 3.5 13.7 1.0 CD2 A:TYR2 3.7 14.5 1.0 C A:TYR2 3.8 14.7 1.0 CB A:ASP3 3.8 16.8 1.0 CB A:TYR2 4.0 13.7 1.0 OE2 A:GLU6 4.0 28.6 1.0 CA A:ASP3 4.0 14.1 1.0 CG A:TYR2 4.3 15.1 1.0 O A:HOH837 4.5 22.9 1.0 O A:MET1 4.6 16.0 1.0 CE2 A:TYR2 4.7 16.0 1.0 N A:TYR2 4.7 14.4 1.0 O A:ASP3 4.7 16.6 1.0 C A:ASP3 4.9 14.9 1.0

Chlorine binding site 3 out of 5 in the Crystal Structure of Pcrb From Bacillus Subtilis Subap. Subtilis Str. 168


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 Pcrb From Bacillus Subtilis Subap. Subtilis Str. 168 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl709 b:23.5 occ:1.00 O A:HOH853 2.9 26.5 1.0 O A:HOH862 3.2 22.1 1.0 O A:HOH858 3.2 17.8 1.0 O A:HOH863 3.2 22.0 1.0 N A:GLY188 3.7 12.7 1.0 CA A:GLY188 3.7 14.4 1.0 O A:SER162 3.8 17.8 1.0 CA A:GLY163 4.1 16.1 1.0 N A:ASN209 4.3 10.8 1.0 C A:GLY188 4.4 14.6 1.0 O A:GLY163 4.5 18.5 1.0 C A:GLY163 4.5 15.4 1.0 CB A:ASN209 4.6 15.2 1.0 C A:SER162 4.6 16.2 1.0 N A:ALA210 4.7 14.0 1.0 N A:ILE189 4.7 12.6 1.0 O A:HOH859 4.8 13.7 1.0 CA A:ASN209 4.8 12.3 1.0 N A:GLY163 4.9 16.0 1.0 O A:HOH860 4.9 34.4 1.0 C A:GLY187 5.0 13.3 1.0

Chlorine binding site 4 out of 5 in the Crystal Structure of Pcrb From Bacillus Subtilis Subap. Subtilis Str. 168


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 Pcrb From Bacillus Subtilis Subap. Subtilis Str. 168 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl710 b:25.4 occ:1.00 O A:HOH880 3.2 31.6 1.0 N A:LEU19 3.2 25.5 1.0 O A:HOH879 3.2 18.7 1.0 CB A:LEU19 3.7 22.0 1.0 NZ A:LYS54 3.8 32.6 1.0 CA A:ASP18 3.8 28.1 1.0 CG A:LEU19 3.9 19.9 1.0 CD2 A:LEU24 3.9 16.3 1.0 SD A:MET51 4.0 30.0 1.0 C A:ASP18 4.0 26.9 1.0 CA A:LEU19 4.0 24.5 1.0 CD1 A:LEU24 4.2 14.8 1.0 CD1 A:LEU19 4.2 18.8 1.0 CB A:LEU24 4.3 13.7 1.0 CE A:LYS54 4.3 29.9 1.0 CG A:LEU24 4.3 14.5 1.0 O A:LYS17 4.4 24.8 1.0 CE A:MET51 4.4 15.6 1.0 O A:LEU19 4.5 25.7 1.0 CB A:ASP18 4.6 33.2 1.0 C A:LEU19 4.8 25.4 1.0 N A:ASP18 4.9 27.5 1.0

Chlorine binding site 5 out of 5 in the Crystal Structure of Pcrb From Bacillus Subtilis Subap. Subtilis Str. 168


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of Pcrb From Bacillus Subtilis Subap. Subtilis Str. 168 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl305 b:23.1 occ:1.00 N B:GLU45 3.2 14.6 1.0 O B:HOH489 3.3 23.4 1.0 CA B:THR44 3.8 17.5 1.0 CB B:GLU45 3.8 15.7 1.0 CB B:THR44 4.0 18.3 1.0 C B:THR44 4.0 15.8 1.0 O B:GLU70 4.2 21.0 1.0 CA B:GLU45 4.2 14.1 1.0 CB B:GLU70 4.4 27.3 1.0 O B:VAL43 4.6 19.1 1.0 CG2 B:THR44 4.7 19.8 1.0 C B:GLU70 4.7 22.0 1.0 N B:THR44 5.0 17.4 1.0

F.Ren, X.Feng, T.P.Ko, C.H.Huang, Y.Hu, H.C.Chan, Y.L.Liu, K.Wang, C.C.Chen, X.Pang, M.He, Y.Li, E.Oldfield, R.T.Guo. Insights Into Tim-Barrel Prenyl Transferase Mechanisms: Crystal Structures of Pcrb From Bacillus Subtilis and Staphylococcus Aureus Chembiochem V. 14 195 2013.
ISSN: ISSN 1439-4227
PubMed: 23322418
DOI: 10.1002/CBIC.201200748