Chlorine in PDB 2vd8: The Crystal Structure of Alanine Racemase From Bacillus Anthracis (BA0252)

All present enzymatic activity of The Crystal Structure of Alanine Racemase From Bacillus Anthracis (BA0252):
5.1.1.1;

The structure of The Crystal Structure of Alanine Racemase From Bacillus Anthracis (BA0252), PDB code: 2vd8 was solved by K.Au, J.Ren, T.S.Walter, K.Harlos, J.E.Nettleship, R.J.Owens, D.I.Stuart, R.M.Esnouf, Oxford Protein Production Facility (Oppf), Structuralproteomics In Europe (Spine), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.19 / 1.47
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	57.552, 88.365, 138.968, 90.00, 90.00, 90.00
R / Rfree (%)	16.8 / 19.9

The structure of The Crystal Structure of Alanine Racemase From Bacillus Anthracis (BA0252) also contains other interesting chemical elements:

Magnesium

(Mg)

4 atoms

The binding sites of Chlorine atom in the The Crystal Structure of Alanine Racemase From Bacillus Anthracis (BA0252) (pdb code 2vd8). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the The Crystal Structure of Alanine Racemase From Bacillus Anthracis (BA0252), PDB code: 2vd8:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the The Crystal Structure of Alanine Racemase From Bacillus Anthracis (BA0252)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of The Crystal Structure of Alanine Racemase From Bacillus Anthracis (BA0252) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1391 b:13.3 occ:1.00 N A:GLN216 3.3 17.0 1.0 CA A:PHE215 3.7 11.0 1.0 O A:HOH2340 3.8 21.4 1.0 CD2 A:PHE215 4.0 11.8 1.0 C A:PHE215 4.0 14.4 1.0 O A:ARG214 4.2 17.5 1.0 CB A:GLN216 4.2 25.0 1.0 CB A:PHE215 4.2 11.3 1.0 CG A:GLN216 4.3 29.9 1.0 CA A:GLN216 4.3 20.3 1.0 O A:HOH2343 4.4 39.8 1.0 CG A:PHE215 4.6 10.8 1.0 O A:GLN216 4.7 19.8 1.0 O A:HOH2299 4.8 0.3 1.0 N A:PHE215 4.8 11.5 1.0 C A:ARG214 4.9 14.7 1.0 O A:HOH2342 5.0 29.2 1.0 CE2 A:PHE215 5.0 11.6 1.0

Chlorine binding site 2 out of 3 in the The Crystal Structure of Alanine Racemase From Bacillus Anthracis (BA0252)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of The Crystal Structure of Alanine Racemase From Bacillus Anthracis (BA0252) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1392 b:8.8 occ:1.00 O A:HOH2243 3.2 9.9 1.0 O A:HOH2233 3.3 8.3 1.0 NE A:ARG138 3.3 8.2 1.0 O A:HOH2143 3.4 8.8 1.0 NH2 A:ARG138 3.4 10.3 1.0 ND2 A:ASN131 3.4 7.2 1.0 CZ A:ARG138 3.8 8.8 1.0 CB A:HIS168 4.0 8.4 1.0 CB A:ARG138 4.2 6.9 1.0 O A:ILE139 4.2 8.7 1.0 CG A:MET136 4.2 8.6 1.0 CG1 A:ILE139 4.3 8.1 1.0 CG A:ASN131 4.4 7.5 1.0 N A:ILE139 4.4 7.4 1.0 CD A:ARG138 4.4 7.7 1.0 OD1 A:ASN131 4.5 9.3 1.0 CG A:ARG138 4.5 7.4 1.0 CG A:HIS168 4.5 8.5 1.0 CD2 A:HIS168 4.6 8.0 1.0 C2A A:PLP1041 4.6 8.7 1.0 CB A:MET136 4.7 8.5 1.0 C A:ILE139 4.9 8.1 1.0

Chlorine binding site 3 out of 3 in the The Crystal Structure of Alanine Racemase From Bacillus Anthracis (BA0252)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of The Crystal Structure of Alanine Racemase From Bacillus Anthracis (BA0252) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1390 b:10.9 occ:1.00 O B:HOH2194 3.2 12.0 1.0 NE B:ARG138 3.3 9.4 1.0 O B:HOH2182 3.3 9.3 1.0 NH2 B:ARG138 3.3 11.9 1.0 O B:HOH2109 3.3 10.9 1.0 ND2 B:ASN131 3.4 8.5 1.0 CZ B:ARG138 3.8 9.8 1.0 CB B:HIS168 3.9 10.8 1.0 O B:ILE139 4.2 9.2 1.0 CG1 B:ILE139 4.2 10.1 1.0 CB B:ARG138 4.2 9.0 1.0 CG B:MET136 4.3 7.3 1.0 N B:ILE139 4.3 8.3 1.0 CG B:ASN131 4.4 9.3 1.0 OD1 B:ASN131 4.4 10.6 1.0 CD B:ARG138 4.4 8.6 1.0 CG B:ARG138 4.5 8.6 1.0 CG B:HIS168 4.5 9.0 1.0 CD2 B:HIS168 4.6 10.3 1.0 C2A B:PLP1041 4.7 9.7 1.0 CB B:MET136 4.7 8.7 1.0 C B:ILE139 4.9 7.8 1.0

K.Au, J.Ren, T.S.Walter, K.Harlos, J.E.Nettleship, R.J.Owens, D.I.Stuart, R.M.Esnouf. Structures of An Alanine Racemase From Bacillus Anthracis (BA0252) in the Presence and Absence of (R)-1-Aminoethylphosphonic Acid (L-Ala-P). Acta Crystallogr.,Sect.F V. 64 327 2008.
ISSN: ISSN 1744-3091
PubMed: 18453697
DOI: 10.1107/S1744309108007252