Chlorine in PDB 2c3m: Crystal Structure of Pyruvate-Ferredoxin Oxidoreductase From Desulfovibrio Africanus

All present enzymatic activity of Crystal Structure of Pyruvate-Ferredoxin Oxidoreductase From Desulfovibrio Africanus:
1.2.7.1;

The structure of Crystal Structure of Pyruvate-Ferredoxin Oxidoreductase From Desulfovibrio Africanus, PDB code: 2c3m was solved by C.Cavazza, C.Contreras-Martel, L.Pieulle, E.Chabriere, E.C.Hatchikian, J.C.Fontecilla-Camps, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	51.12 / 1.84
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	86.021, 146.158, 211.737, 90.00, 90.00, 90.00
R / Rfree (%)	19 / 22.2

The structure of Crystal Structure of Pyruvate-Ferredoxin Oxidoreductase From Desulfovibrio Africanus also contains other interesting chemical elements:

Magnesium	(Mg)	2 atoms
Iron	(Fe)	24 atoms
Calcium	(Ca)	2 atoms

The binding sites of Chlorine atom in the Crystal Structure of Pyruvate-Ferredoxin Oxidoreductase From Desulfovibrio Africanus (pdb code 2c3m). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Pyruvate-Ferredoxin Oxidoreductase From Desulfovibrio Africanus, PDB code: 2c3m:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Pyruvate-Ferredoxin Oxidoreductase From Desulfovibrio Africanus


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 Pyruvate-Ferredoxin Oxidoreductase From Desulfovibrio Africanus within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl2237 b:21.5 occ:1.00 O A:HOH2610 2.9 16.4 1.0 OG1 A:THR31 3.0 11.9 1.0 N A:THR31 3.3 10.2 1.0 CB A:THR31 3.4 11.6 1.0 CG2 A:THR997 3.6 14.2 1.0 C7' A:TPP2236 3.6 13.3 1.0 NH1 A:ARG114 3.7 16.0 1.0 CA A:THR31 3.9 12.0 1.0 N3 A:TPP2236 4.0 11.3 1.0 C2 A:TPP2236 4.0 12.4 1.0 CG1 A:ILE30 4.3 11.2 1.0 C A:ILE30 4.3 14.8 1.0 OD1 A:ASN996 4.4 31.8 1.0 CA A:ILE30 4.4 12.6 1.0 CG2 A:ILE123 4.4 12.5 1.0 O A:THR31 4.5 13.2 1.0 SD B:MET1202 4.5 31.8 1.0 N4' A:TPP2236 4.7 11.2 1.0 CZ A:ARG114 4.7 15.3 1.0 CG B:MET1202 4.7 21.5 1.0 CG2 A:THR31 4.7 12.8 1.0 C A:THR31 4.7 11.0 1.0 C5' A:TPP2236 4.8 10.4 1.0 NH2 A:ARG114 4.8 15.4 1.0 O A:HOH2010 4.9 19.7 1.0 C4 A:TPP2236 4.9 11.4 1.0 CB A:THR997 5.0 10.4 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Pyruvate-Ferredoxin Oxidoreductase From Desulfovibrio Africanus


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 Pyruvate-Ferredoxin Oxidoreductase From Desulfovibrio Africanus within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl2237 b:20.9 occ:1.00 O B:HOH2706 2.9 18.6 1.0 OG1 B:THR31 3.0 10.8 1.0 N B:THR31 3.2 8.3 1.0 CB B:THR31 3.4 11.7 1.0 C7' B:TPP2236 3.5 9.9 1.0 CG2 B:THR997 3.6 14.5 1.0 NH1 B:ARG114 3.7 10.1 1.0 N3 B:TPP2236 3.9 10.5 1.0 CA B:THR31 3.9 11.0 1.0 C2 B:TPP2236 4.0 14.1 1.0 CG1 B:ILE30 4.1 9.0 1.0 C B:ILE30 4.2 12.0 1.0 CA B:ILE30 4.2 8.3 1.0 O B:THR31 4.5 8.4 1.0 OD1 B:ASN996 4.5 25.5 1.0 CG2 B:ILE123 4.6 11.8 1.0 C5' B:TPP2236 4.7 7.5 1.0 CZ B:ARG114 4.7 10.3 1.0 C B:THR31 4.7 9.0 1.0 N4' B:TPP2236 4.7 13.9 1.0 CG2 B:THR31 4.8 11.3 1.0 SD A:MET1202 4.8 29.7 1.0 CB B:ILE30 4.9 9.6 1.0 C4 B:TPP2236 4.9 9.8 1.0 NH2 B:ARG114 4.9 11.2 1.0 O B:HOH2015 4.9 12.4 1.0 CG A:MET1202 4.9 21.3 1.0 CB B:THR997 4.9 10.3 1.0

C.Cavazza, C.Contreras-Martel, L.Pieulle, E.Chabriere, E.C.Hatchikian, J.C.Fontecilla-Camps. Flexibility of Thiamine Diphosphate Revealed By Kinetic Crystallographic Studies of the Reaction of Pyruvate-Ferredoxin Oxidoreductase with Pyruvate. Structure V. 14 217 2006.
ISSN: ISSN 0969-2126
PubMed: 16472741
DOI: 10.1016/J.STR.2005.10.013