Iron in PDB 6onc: Crystal Structure of Desulfovibrio Vulgaris Carbon Monoxide Dehydrogenase Produced Without Cooc, As-Isolated

All present enzymatic activity of Crystal Structure of Desulfovibrio Vulgaris Carbon Monoxide Dehydrogenase Produced Without Cooc, As-Isolated:
1.2.7.4;

The structure of Crystal Structure of Desulfovibrio Vulgaris Carbon Monoxide Dehydrogenase Produced Without Cooc, As-Isolated, PDB code: 6onc was solved by E.C.Wittenborn, S.E.Cohen, C.L.Drennan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	93.27 / 1.50
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	64.790, 144.150, 123.690, 90.00, 98.50, 90.00
R / Rfree (%)	15.4 / 17.8

The structure of Crystal Structure of Desulfovibrio Vulgaris Carbon Monoxide Dehydrogenase Produced Without Cooc, As-Isolated also contains other interesting chemical elements:

Magnesium	(Mg)	8 atoms
Chlorine	(Cl)	2 atoms

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 30; Page 4, Binding sites: 31 - 40;

Binding sites:

The binding sites of Iron atom in the Crystal Structure of Desulfovibrio Vulgaris Carbon Monoxide Dehydrogenase Produced Without Cooc, As-Isolated (pdb code 6onc). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 40 binding sites of Iron where determined in the Crystal Structure of Desulfovibrio Vulgaris Carbon Monoxide Dehydrogenase Produced Without Cooc, As-Isolated, PDB code: 6onc:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iron binding site 1 out of 40 in the Crystal Structure of Desulfovibrio Vulgaris Carbon Monoxide Dehydrogenase Produced Without Cooc, As-Isolated


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure of Desulfovibrio Vulgaris Carbon Monoxide Dehydrogenase Produced Without Cooc, As-Isolated within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe701 b:16.3 occ:1.00 FE1 A:SF4701 0.0 16.3 1.0 S2 A:SF4701 2.3 15.3 1.0 SG A:CYS51 2.3 16.6 1.0 S4 A:SF4701 2.3 16.7 1.0 S3 A:SF4701 2.3 16.0 1.0 FE2 A:SF4701 2.7 16.2 1.0 FE4 A:SF4701 2.7 16.3 1.0 FE3 A:SF4701 2.7 15.9 1.0 CB A:CYS51 3.1 15.1 1.0 NH2 A:ARG84 3.6 16.0 1.0 S1 A:SF4701 3.8 14.6 1.0 N A:ASN53 4.1 16.3 1.0 C A:CYS51 4.3 14.3 1.0 CB A:ASN53 4.3 14.9 1.0 CA A:CYS51 4.3 15.3 1.0 O A:CYS51 4.4 16.0 1.0 CA A:ASN53 4.6 14.0 1.0 N A:ARG52 4.6 18.1 1.0 SG A:CYS59 4.7 15.7 1.0 CZ A:ARG84 4.7 17.7 1.0 N A:CYS54 4.7 14.1 1.0 SG A:CYS54 4.9 15.4 1.0 SG A:CYS74 4.9 16.1 1.0 C A:ASN53 4.9 15.0 1.0 CB A:CYS59 5.0 15.9 1.0 CG A:ASN53 5.0 19.8 1.0

Iron binding site 2 out of 40 in the Crystal Structure of Desulfovibrio Vulgaris Carbon Monoxide Dehydrogenase Produced Without Cooc, As-Isolated


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Structure of Desulfovibrio Vulgaris Carbon Monoxide Dehydrogenase Produced Without Cooc, As-Isolated within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe701 b:16.2 occ:1.00 FE2 A:SF4701 0.0 16.2 1.0 SG A:CYS59 2.3 15.7 1.0 S1 A:SF4701 2.3 14.6 1.0 S3 A:SF4701 2.3 16.0 1.0 S4 A:SF4701 2.3 16.7 1.0 FE1 A:SF4701 2.7 16.3 1.0 FE4 A:SF4701 2.7 16.3 1.0 FE3 A:SF4701 2.8 15.9 1.0 CB A:CYS59 3.3 15.9 1.0 S2 A:SF4701 3.9 15.3 1.0 N A:VAL73 3.9 16.6 1.0 CA A:GLY57 4.1 15.7 1.0 N A:GLY57 4.3 16.0 1.0 N A:CYS59 4.3 15.6 1.0 CA A:GLY72 4.4 17.3 1.0 CA A:CYS59 4.4 15.6 1.0 CB A:CYS51 4.6 15.1 1.0 SG A:CYS51 4.6 16.6 1.0 C A:GLY72 4.6 17.4 1.0 SG A:CYS54 4.7 15.4 1.0 CB A:VAL73 4.7 17.2 1.0 O A:CYS51 4.7 16.0 1.0 N A:CYS74 4.8 15.1 1.0 SG A:CYS74 4.8 16.1 1.0 CA A:VAL73 4.8 16.0 1.0 C A:PRO58 4.9 15.4 1.0 CG2 A:VAL73 5.0 14.8 1.0

Iron binding site 3 out of 40 in the Crystal Structure of Desulfovibrio Vulgaris Carbon Monoxide Dehydrogenase Produced Without Cooc, As-Isolated


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Crystal Structure of Desulfovibrio Vulgaris Carbon Monoxide Dehydrogenase Produced Without Cooc, As-Isolated within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe701 b:15.9 occ:1.00 FE3 A:SF4701 0.0 15.9 1.0 S4 A:SF4701 2.3 16.7 1.0 SG A:CYS74 2.3 16.1 1.0 S2 A:SF4701 2.3 15.3 1.0 S1 A:SF4701 2.3 14.6 1.0 FE1 A:SF4701 2.7 16.3 1.0 FE2 A:SF4701 2.8 16.2 1.0 FE4 A:SF4701 2.8 16.3 1.0 CB A:CYS74 3.4 14.3 1.0 N A:CYS74 3.9 15.1 1.0 S3 A:SF4701 3.9 16.0 1.0 NH2 A:ARG84 4.0 16.0 1.0 CA A:CYS74 4.2 14.4 1.0 CG A:MET203 4.3 15.6 1.0 SG A:CYS54 4.6 15.4 1.0 CB A:ALA76 4.6 14.3 1.0 N A:VAL73 4.6 16.6 1.0 O A:HOH984 4.7 14.8 1.0 SG A:CYS59 4.8 15.7 1.0 SG A:CYS51 4.8 16.6 1.0 CA A:GLY72 5.0 17.3 1.0 C A:GLY72 5.0 17.4 1.0

Iron binding site 4 out of 40 in the Crystal Structure of Desulfovibrio Vulgaris Carbon Monoxide Dehydrogenase Produced Without Cooc, As-Isolated


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Crystal Structure of Desulfovibrio Vulgaris Carbon Monoxide Dehydrogenase Produced Without Cooc, As-Isolated within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe701 b:16.3 occ:1.00 FE4 A:SF4701 0.0 16.3 1.0 SG A:CYS54 2.3 15.4 1.0 S3 A:SF4701 2.3 16.0 1.0 S2 A:SF4701 2.3 15.3 1.0 S1 A:SF4701 2.3 14.6 1.0 FE1 A:SF4701 2.7 16.3 1.0 FE2 A:SF4701 2.7 16.2 1.0 FE3 A:SF4701 2.8 15.9 1.0 CB A:CYS54 3.4 14.1 1.0 N A:CYS54 3.6 14.1 1.0 S4 A:SF4701 3.9 16.7 1.0 CA A:CYS54 3.9 14.8 1.0 O A:CYS54 4.0 16.8 1.0 C A:CYS54 4.2 14.2 1.0 N A:GLY57 4.2 16.0 1.0 C A:ASN53 4.3 15.0 1.0 CG A:MET203 4.6 15.6 1.0 CA A:GLY57 4.7 15.7 1.0 N A:ASN53 4.7 16.3 1.0 CB A:MET56 4.7 16.9 1.0 SG A:CYS51 4.8 16.6 1.0 SG A:CYS74 4.8 16.1 1.0 SG A:CYS59 4.8 15.7 1.0 CB A:MET203 4.9 15.6 1.0 CA A:ASN53 4.9 14.0 1.0 N A:MET56 5.0 15.6 1.0 O A:ASN53 5.0 16.3 1.0

Iron binding site 5 out of 40 in the Crystal Structure of Desulfovibrio Vulgaris Carbon Monoxide Dehydrogenase Produced Without Cooc, As-Isolated


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Crystal Structure of Desulfovibrio Vulgaris Carbon Monoxide Dehydrogenase Produced Without Cooc, As-Isolated within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe702 b:20.6 occ:1.00 FE1 A:XCC702 0.0 20.6 1.0 S4 A:XCC702 2.2 18.8 1.0 S3 A:XCC702 2.3 21.6 1.0 S2 A:XCC702 2.3 18.7 1.0 SG A:CYS340 2.4 18.0 1.0 FE3 A:XCC702 2.6 20.2 1.0 FE4 A:XCC702 2.7 21.2 1.0 FE A:FE703 2.8 25.5 0.2 FE2 A:XCC702 3.3 20.7 0.8 CB A:CYS340 3.3 14.7 1.0 S1 A:XCC702 3.8 17.6 1.0 O A:HOH948 3.8 19.8 0.8 NZ A:LYS556 4.1 17.4 1.0 CE2 A:TYR553 4.1 19.6 1.0 NE2 A:HIS266 4.3 18.9 1.0 CE1 A:HIS266 4.5 17.8 1.0 OH A:TYR553 4.7 25.1 1.0 CE A:LYS556 4.7 18.1 1.0 SG A:CYS448 4.7 18.9 1.0 CA A:CYS340 4.8 15.9 1.0 OG A:SER554 4.8 16.6 1.0 CZ A:TYR553 4.9 20.8 1.0 SG A:CYS478 5.0 18.2 1.0 CB A:SER554 5.0 15.7 1.0

Iron binding site 6 out of 40 in the Crystal Structure of Desulfovibrio Vulgaris Carbon Monoxide Dehydrogenase Produced Without Cooc, As-Isolated


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Crystal Structure of Desulfovibrio Vulgaris Carbon Monoxide Dehydrogenase Produced Without Cooc, As-Isolated within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe702 b:20.7 occ:0.80 FE2 A:XCC702 0.0 20.7 0.8 O A:HOH948 1.9 19.8 0.8 FE A:FE703 2.1 25.5 0.2 NE2 A:HIS266 2.2 18.9 1.0 S3 A:XCC702 2.3 21.6 1.0 SG A:CYS302 2.3 17.7 1.0 CD2 A:HIS266 3.1 17.3 1.0 CE1 A:HIS266 3.2 17.8 1.0 CB A:CYS302 3.3 19.8 1.0 FE1 A:XCC702 3.3 20.6 1.0 SG A:CYS519 3.6 21.1 0.2 SG A:CYS519 3.6 19.5 0.8 NZ A:LYS556 3.7 17.4 1.0 S4 A:XCC702 3.7 18.8 1.0 FE4 A:XCC702 3.9 21.2 1.0 O A:HOH992 3.9 16.1 0.8 CB A:CYS519 4.0 14.7 0.8 CB A:CYS519 4.0 16.8 0.2 S1 A:XCC702 4.2 17.6 1.0 CG A:HIS266 4.2 15.3 1.0 N A:CYS302 4.3 15.4 1.0 ND1 A:HIS266 4.3 16.2 1.0 CA A:CYS302 4.3 19.1 1.0 O A:HOH1031 4.5 20.8 1.0 O A:HOH1108 4.5 18.4 1.0 SG A:CYS340 4.6 18.0 1.0 FE3 A:XCC702 4.6 20.2 1.0 CE A:LYS556 4.9 18.1 1.0 N A:CYS519 5.0 14.0 0.8 N A:CYS519 5.0 14.5 0.2

Iron binding site 7 out of 40 in the Crystal Structure of Desulfovibrio Vulgaris Carbon Monoxide Dehydrogenase Produced Without Cooc, As-Isolated


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of Crystal Structure of Desulfovibrio Vulgaris Carbon Monoxide Dehydrogenase Produced Without Cooc, As-Isolated within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe702 b:20.2 occ:1.00 FE3 A:XCC702 0.0 20.2 1.0 S4 A:XCC702 2.2 18.8 1.0 S1 A:XCC702 2.2 17.6 1.0 S2 A:XCC702 2.3 18.7 1.0 SG A:CYS448 2.5 18.9 1.0 FE1 A:XCC702 2.6 20.6 1.0 FE4 A:XCC702 2.7 21.2 1.0 FE A:FE703 2.8 25.5 0.2 CB A:CYS448 3.3 18.0 1.0 CA A:CYS448 3.7 16.4 1.0 S3 A:XCC702 3.9 21.6 1.0 N A:CYS448 4.0 19.2 1.0 OG A:SER554 4.0 16.6 1.0 C A:GLY447 4.2 20.2 1.0 CE2 A:TYR553 4.3 19.6 1.0 CA A:GLY447 4.5 18.5 1.0 CD2 A:TYR553 4.5 18.5 1.0 SG A:CYS519 4.6 19.5 0.8 FE2 A:XCC702 4.6 20.7 0.8 O A:HOH948 4.6 19.8 0.8 CB A:SER554 4.7 15.7 1.0 O A:GLY447 4.7 17.2 1.0 SG A:CYS340 4.7 18.0 1.0 SG A:CYS478 4.8 18.2 1.0

Iron binding site 8 out of 40 in the Crystal Structure of Desulfovibrio Vulgaris Carbon Monoxide Dehydrogenase Produced Without Cooc, As-Isolated


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of Crystal Structure of Desulfovibrio Vulgaris Carbon Monoxide Dehydrogenase Produced Without Cooc, As-Isolated within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe702 b:21.2 occ:1.00 FE4 A:XCC702 0.0 21.2 1.0 S2 A:XCC702 2.2 18.7 1.0 S1 A:XCC702 2.3 17.6 1.0 S3 A:XCC702 2.3 21.6 1.0 SG A:CYS478 2.4 18.2 1.0 FE3 A:XCC702 2.7 20.2 1.0 FE1 A:XCC702 2.7 20.6 1.0 FE A:FE703 2.8 25.5 0.2 CB A:CYS478 3.4 18.9 1.0 O A:HOH1031 3.8 20.8 1.0 FE2 A:XCC702 3.9 20.7 0.8 S4 A:XCC702 3.9 18.8 1.0 N A:CYS478 4.0 14.9 1.0 CA A:CYS478 4.3 16.9 1.0 CA A:CYS448 4.5 16.4 1.0 CB A:HIS319 4.5 14.7 1.0 SG A:CYS301 4.6 20.7 1.0 CB A:CYS448 4.7 18.0 1.0 SG A:CYS448 4.8 18.9 1.0 O A:GLY447 4.8 17.2 1.0 CB A:CYS301 4.9 14.8 1.0 SG A:CYS519 4.9 19.5 0.8 SG A:CYS302 4.9 17.7 1.0 C A:GLY447 5.0 20.2 1.0 C A:GLY477 5.0 16.0 1.0

Iron binding site 9 out of 40 in the Crystal Structure of Desulfovibrio Vulgaris Carbon Monoxide Dehydrogenase Produced Without Cooc, As-Isolated


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 9 of Crystal Structure of Desulfovibrio Vulgaris Carbon Monoxide Dehydrogenase Produced Without Cooc, As-Isolated within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe703 b:25.5 occ:0.20 FE2 A:XCC702 2.1 20.7 0.8 S1 A:XCC702 2.3 17.6 1.0 O A:HOH948 2.5 19.8 0.8 SG A:CYS519 2.5 19.5 0.8 S4 A:XCC702 2.6 18.8 1.0 S3 A:XCC702 2.6 21.6 1.0 FE3 A:XCC702 2.8 20.2 1.0 FE4 A:XCC702 2.8 21.2 1.0 FE1 A:XCC702 2.8 20.6 1.0 SG A:CYS302 3.4 17.7 1.0 CB A:CYS519 3.8 16.8 0.2 CB A:CYS519 3.8 14.7 0.8 S2 A:XCC702 4.0 18.7 1.0 SG A:CYS519 4.1 21.1 0.2 NE2 A:HIS266 4.1 18.9 1.0 O A:HOH1031 4.5 20.8 1.0 NZ A:LYS556 4.6 17.4 1.0 SG A:CYS340 4.9 18.0 1.0 CA A:GLY477 4.9 17.6 1.0 O A:HOH992 4.9 16.1 0.8 SG A:CYS478 4.9 18.2 1.0 CB A:CYS302 4.9 19.8 1.0 N A:CYS478 5.0 14.9 1.0

Iron binding site 10 out of 40 in the Crystal Structure of Desulfovibrio Vulgaris Carbon Monoxide Dehydrogenase Produced Without Cooc, As-Isolated


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 10 of Crystal Structure of Desulfovibrio Vulgaris Carbon Monoxide Dehydrogenase Produced Without Cooc, As-Isolated within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe701 b:18.1 occ:1.00 FE1 B:FES701 0.0 18.1 1.0 S1 B:FES701 2.2 18.2 1.0 S2 B:FES701 2.2 18.2 1.0 SG B:CYS42 2.3 19.2 1.0 SG B:CYS45 2.3 18.2 1.0 FE2 B:FES701 2.8 18.6 1.0 CB B:CYS42 3.2 17.9 1.0 CB B:CYS45 3.5 16.1 1.0 N B:CYS45 3.8 17.8 1.0 CA B:CYS45 4.1 16.8 1.0 O A:HOH1125 4.2 18.0 1.0 C1 A:GOL704 4.4 28.8 1.0 SG A:CYS45 4.4 18.9 1.0 OG1 A:THR50 4.5 19.2 1.0 C3 A:GOL704 4.5 29.7 1.0 SG A:CYS42 4.5 19.4 1.0 CA B:CYS42 4.6 19.8 1.0 CB B:PHE44 4.7 18.0 1.0 CG2 B:THR50 4.7 19.8 1.0 OG1 B:THR50 4.7 20.4 1.0 C B:PHE44 4.8 18.7 1.0 CB B:THR50 4.9 18.3 1.0

E.C.Wittenborn, S.E.Cohen, M.Merrouch, C.Leger, V.Fourmond, S.Dementin, C.L.Drennan. Structural Insight Into Metallocofactor Maturation in Carbon Monoxide Dehydrogenase. J.Biol.Chem. V. 294 13017 2019.
ISSN: ESSN 1083-351X
PubMed: 31296570
DOI: 10.1074/JBC.RA119.009610