Iron in PDB 1mjg: Crystal Structure of Bifunctional Carbon Monoxide Dehydrogenase/Acetyl-Coa Synthase(Codh/Acs) From Moorella Thermoacetica (F. Clostridium Thermoaceticum)

All present enzymatic activity of Crystal Structure of Bifunctional Carbon Monoxide Dehydrogenase/Acetyl-Coa Synthase(Codh/Acs) From Moorella Thermoacetica (F. Clostridium Thermoaceticum):
1.2.99.2;

The structure of Crystal Structure of Bifunctional Carbon Monoxide Dehydrogenase/Acetyl-Coa Synthase(Codh/Acs) From Moorella Thermoacetica (F. Clostridium Thermoaceticum), PDB code: 1mjg was solved by T.I.Doukov, T.M.Iverson, J.Seravalli, S.W.Ragsdale, C.L.Drennan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.20
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	99.749, 136.973, 141.532, 101.45, 109.05, 103.94
R / Rfree (%)	21.5 / 24.1

The structure of Crystal Structure of Bifunctional Carbon Monoxide Dehydrogenase/Acetyl-Coa Synthase(Codh/Acs) From Moorella Thermoacetica (F. Clostridium Thermoaceticum) also contains other interesting chemical elements:

Nickel	(Ni)	8 atoms
Copper	(Cu)	4 atoms

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 30; Page 4, Binding sites: 31 - 40; Page 5, Binding sites: 41 - 50; Page 6, Binding sites: 51 - 56;

Binding sites:

The binding sites of Iron atom in the Crystal Structure of Bifunctional Carbon Monoxide Dehydrogenase/Acetyl-Coa Synthase(Codh/Acs) From Moorella Thermoacetica (F. Clostridium Thermoaceticum) (pdb code 1mjg). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 56 binding sites of Iron where determined in the Crystal Structure of Bifunctional Carbon Monoxide Dehydrogenase/Acetyl-Coa Synthase(Codh/Acs) From Moorella Thermoacetica (F. Clostridium Thermoaceticum), PDB code: 1mjg:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iron binding site 1 out of 56 in the Crystal Structure of Bifunctional Carbon Monoxide Dehydrogenase/Acetyl-Coa Synthase(Codh/Acs) From Moorella Thermoacetica (F. Clostridium Thermoaceticum)


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 Bifunctional Carbon Monoxide Dehydrogenase/Acetyl-Coa Synthase(Codh/Acs) From Moorella Thermoacetica (F. Clostridium Thermoaceticum) within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe700 b:24.3 occ:1.00 FE1 A:SF4700 0.0 24.3 1.0 S4 A:SF4700 2.3 23.0 1.0 SG B:CYS67 2.3 22.5 1.0 S2 A:SF4700 2.3 22.0 1.0 S3 A:SF4700 2.3 22.6 1.0 FE3 A:SF4700 2.7 22.7 1.0 FE2 A:SF4700 2.7 23.5 1.0 FE4 A:SF4700 2.8 24.7 1.0 CB B:CYS67 3.3 19.5 1.0 S1 A:SF4700 3.9 22.4 1.0 NE B:ARG69 4.3 27.0 1.0 NE A:ARG69 4.4 24.2 1.0 NH2 A:ARG69 4.4 24.2 1.0 SG A:CYS59 4.7 24.2 1.0 CA B:CYS67 4.7 19.8 1.0 SG A:CYS67 4.8 23.4 1.0 SG B:CYS59 4.8 24.9 1.0 CZ A:ARG69 4.8 26.3 1.0 CD B:ARG69 4.9 23.6 1.0 CB A:CYS59 4.9 24.3 1.0

Iron binding site 2 out of 56 in the Crystal Structure of Bifunctional Carbon Monoxide Dehydrogenase/Acetyl-Coa Synthase(Codh/Acs) From Moorella Thermoacetica (F. Clostridium Thermoaceticum)


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 Bifunctional Carbon Monoxide Dehydrogenase/Acetyl-Coa Synthase(Codh/Acs) From Moorella Thermoacetica (F. Clostridium Thermoaceticum) within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe700 b:23.5 occ:1.00 FE2 A:SF4700 0.0 23.5 1.0 S1 A:SF4700 2.3 22.4 1.0 SG A:CYS59 2.3 24.2 1.0 S3 A:SF4700 2.3 22.6 1.0 S4 A:SF4700 2.3 23.0 1.0 FE4 A:SF4700 2.7 24.7 1.0 FE1 A:SF4700 2.7 24.3 1.0 FE3 A:SF4700 2.8 22.7 1.0 CB A:CYS59 3.3 24.3 1.0 S2 A:SF4700 3.9 22.0 1.0 N A:GLY62 4.3 24.6 1.0 CA A:GLY62 4.7 24.9 1.0 CB A:ILE61 4.7 27.3 1.0 CA A:CYS59 4.7 23.4 1.0 SG B:CYS67 4.8 22.5 1.0 SG B:CYS59 4.8 24.9 1.0 SG A:CYS67 4.9 23.4 1.0

Iron binding site 3 out of 56 in the Crystal Structure of Bifunctional Carbon Monoxide Dehydrogenase/Acetyl-Coa Synthase(Codh/Acs) From Moorella Thermoacetica (F. Clostridium Thermoaceticum)


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 Bifunctional Carbon Monoxide Dehydrogenase/Acetyl-Coa Synthase(Codh/Acs) From Moorella Thermoacetica (F. Clostridium Thermoaceticum) within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe700 b:22.7 occ:1.00 FE3 A:SF4700 0.0 22.7 1.0 S2 A:SF4700 2.3 22.0 1.0 S4 A:SF4700 2.3 23.0 1.0 S1 A:SF4700 2.3 22.4 1.0 SG A:CYS67 2.3 23.4 1.0 FE4 A:SF4700 2.7 24.7 1.0 FE1 A:SF4700 2.7 24.3 1.0 FE2 A:SF4700 2.8 23.5 1.0 CB A:CYS67 3.3 20.2 1.0 S3 A:SF4700 3.9 22.6 1.0 NE A:ARG69 4.4 24.2 1.0 NE B:ARG69 4.4 27.0 1.0 NH2 B:ARG69 4.5 26.9 1.0 SG B:CYS59 4.7 24.9 1.0 SG B:CYS67 4.8 22.5 1.0 CA A:CYS67 4.8 18.9 1.0 SG A:CYS59 4.8 24.2 1.0 CZ B:ARG69 4.9 28.9 1.0 CB B:CYS59 4.9 24.6 1.0 CD A:ARG69 5.0 22.8 1.0

Iron binding site 4 out of 56 in the Crystal Structure of Bifunctional Carbon Monoxide Dehydrogenase/Acetyl-Coa Synthase(Codh/Acs) From Moorella Thermoacetica (F. Clostridium Thermoaceticum)


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 Bifunctional Carbon Monoxide Dehydrogenase/Acetyl-Coa Synthase(Codh/Acs) From Moorella Thermoacetica (F. Clostridium Thermoaceticum) within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe700 b:24.7 occ:1.00 FE4 A:SF4700 0.0 24.7 1.0 SG B:CYS59 2.3 24.9 1.0 S2 A:SF4700 2.3 22.0 1.0 S3 A:SF4700 2.3 22.6 1.0 S1 A:SF4700 2.3 22.4 1.0 FE3 A:SF4700 2.7 22.7 1.0 FE2 A:SF4700 2.7 23.5 1.0 FE1 A:SF4700 2.8 24.3 1.0 CB B:CYS59 3.3 24.6 1.0 S4 A:SF4700 3.9 23.0 1.0 N B:GLY62 4.3 22.6 1.0 CB B:ILE61 4.7 25.1 1.0 CA B:GLY62 4.7 23.0 1.0 CA B:CYS59 4.7 24.1 1.0 SG B:CYS67 4.8 22.5 1.0 SG A:CYS59 4.8 24.2 1.0 SG A:CYS67 4.8 23.4 1.0

Iron binding site 5 out of 56 in the Crystal Structure of Bifunctional Carbon Monoxide Dehydrogenase/Acetyl-Coa Synthase(Codh/Acs) From Moorella Thermoacetica (F. Clostridium Thermoaceticum)


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 Bifunctional Carbon Monoxide Dehydrogenase/Acetyl-Coa Synthase(Codh/Acs) From Moorella Thermoacetica (F. Clostridium Thermoaceticum) within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe750 b:16.2 occ:1.00 FE1 A:SF4750 0.0 16.2 1.0 S2 A:SF4750 2.3 16.2 1.0 S4 A:SF4750 2.3 16.2 1.0 S3 A:SF4750 2.3 16.2 1.0 SG A:CYS76 2.3 16.7 1.0 FE2 A:SF4750 2.7 16.4 1.0 FE4 A:SF4750 2.7 18.4 1.0 FE3 A:SF4750 2.7 18.0 1.0 CB A:CYS76 3.3 18.2 1.0 S1 A:SF4750 3.9 16.6 1.0 N A:ILE89 4.1 17.7 1.0 CA A:GLY74 4.4 19.7 1.0 CA A:CYS76 4.5 20.1 1.0 N A:GLY74 4.5 19.4 1.0 N A:CYS76 4.5 19.6 1.0 SG A:CYS68 4.6 16.7 1.0 CB A:ILE89 4.6 16.4 1.0 CA A:GLY88 4.6 18.5 1.0 O A:CYS68 4.6 18.0 1.0 SG A:CYS90 4.7 18.4 1.0 SG A:CYS71 4.7 17.1 1.0 CB A:CYS68 4.8 15.6 1.0 N A:CYS90 4.8 16.2 1.0 C A:GLY88 4.8 19.5 1.0 C A:ALA73 4.9 19.1 1.0 CA A:ILE89 4.9 17.1 1.0

Iron binding site 6 out of 56 in the Crystal Structure of Bifunctional Carbon Monoxide Dehydrogenase/Acetyl-Coa Synthase(Codh/Acs) From Moorella Thermoacetica (F. Clostridium Thermoaceticum)


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 Bifunctional Carbon Monoxide Dehydrogenase/Acetyl-Coa Synthase(Codh/Acs) From Moorella Thermoacetica (F. Clostridium Thermoaceticum) within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe750 b:16.4 occ:1.00 FE2 A:SF4750 0.0 16.4 1.0 SG A:CYS68 2.3 16.7 1.0 S1 A:SF4750 2.3 16.6 1.0 S3 A:SF4750 2.3 16.2 1.0 S4 A:SF4750 2.3 16.2 1.0 FE1 A:SF4750 2.7 16.2 1.0 FE4 A:SF4750 2.7 18.4 1.0 FE3 A:SF4750 2.7 18.0 1.0 CB A:CYS68 3.3 15.6 1.0 NH1 A:ARG100 3.7 18.9 1.0 S2 A:SF4750 3.8 16.2 1.0 N A:PHE70 4.1 17.1 1.0 C A:CYS68 4.2 16.8 1.0 O A:CYS68 4.2 18.0 1.0 CA A:CYS68 4.4 17.1 1.0 CB A:PHE70 4.4 17.1 1.0 N A:ARG69 4.6 16.3 1.0 N A:CYS71 4.6 16.4 1.0 CA A:PHE70 4.7 18.5 1.0 SG A:CYS76 4.7 16.7 1.0 CZ A:ARG100 4.7 20.4 1.0 SG A:CYS90 4.8 18.4 1.0 SG A:CYS71 4.9 17.1 1.0 CB A:CYS76 5.0 18.2 1.0 C A:PHE70 5.0 18.5 1.0

Iron binding site 7 out of 56 in the Crystal Structure of Bifunctional Carbon Monoxide Dehydrogenase/Acetyl-Coa Synthase(Codh/Acs) From Moorella Thermoacetica (F. Clostridium Thermoaceticum)


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 Bifunctional Carbon Monoxide Dehydrogenase/Acetyl-Coa Synthase(Codh/Acs) From Moorella Thermoacetica (F. Clostridium Thermoaceticum) within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe750 b:18.0 occ:1.00 FE3 A:SF4750 0.0 18.0 1.0 S1 A:SF4750 2.3 16.6 1.0 SG A:CYS71 2.3 17.1 1.0 S2 A:SF4750 2.3 16.2 1.0 S4 A:SF4750 2.3 16.2 1.0 FE4 A:SF4750 2.7 18.4 1.0 FE2 A:SF4750 2.7 16.4 1.0 FE1 A:SF4750 2.7 16.2 1.0 CB A:CYS71 3.4 16.0 1.0 N A:CYS71 3.8 16.4 1.0 S3 A:SF4750 3.9 16.2 1.0 CA A:CYS71 4.0 18.0 1.0 CG A:MET221 4.2 17.8 1.0 O A:CYS71 4.2 17.9 1.0 C A:CYS71 4.3 18.8 1.0 CB A:ALA73 4.3 18.2 1.0 N A:GLY74 4.5 19.4 1.0 C A:PHE70 4.6 18.5 1.0 CB A:MET221 4.7 17.4 1.0 N A:ALA73 4.7 18.8 1.0 SG A:CYS90 4.7 18.4 1.0 SG A:CYS68 4.8 16.7 1.0 SG A:CYS76 4.8 16.7 1.0 CE B:MET584 4.8 16.4 1.0 CA A:ALA73 4.9 19.0 1.0 C A:ALA73 5.0 19.1 1.0 N A:PHE70 5.0 17.1 1.0

Iron binding site 8 out of 56 in the Crystal Structure of Bifunctional Carbon Monoxide Dehydrogenase/Acetyl-Coa Synthase(Codh/Acs) From Moorella Thermoacetica (F. Clostridium Thermoaceticum)


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 Bifunctional Carbon Monoxide Dehydrogenase/Acetyl-Coa Synthase(Codh/Acs) From Moorella Thermoacetica (F. Clostridium Thermoaceticum) within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe750 b:18.4 occ:1.00 FE4 A:SF4750 0.0 18.4 1.0 S3 A:SF4750 2.3 16.2 1.0 S2 A:SF4750 2.3 16.2 1.0 SG A:CYS90 2.3 18.4 1.0 S1 A:SF4750 2.3 16.6 1.0 FE3 A:SF4750 2.7 18.0 1.0 FE2 A:SF4750 2.7 16.4 1.0 FE1 A:SF4750 2.7 16.2 1.0 CB A:CYS90 3.3 17.3 1.0 S4 A:SF4750 3.9 16.2 1.0 N A:CYS90 4.0 16.2 1.0 NH1 A:ARG100 4.1 18.9 1.0 CG A:MET221 4.2 17.8 1.0 CA A:CYS90 4.3 18.0 1.0 CB A:ALA92 4.5 13.0 1.0 SG A:CYS71 4.7 17.1 1.0 N A:ILE89 4.7 17.7 1.0 SG A:CYS68 4.7 16.7 1.0 SG A:CYS76 4.8 16.7 1.0 CA A:GLY88 4.9 18.5 1.0 CZ A:ARG100 5.0 20.4 1.0 CB A:MET221 5.0 17.4 1.0

Iron binding site 9 out of 56 in the Crystal Structure of Bifunctional Carbon Monoxide Dehydrogenase/Acetyl-Coa Synthase(Codh/Acs) From Moorella Thermoacetica (F. Clostridium Thermoaceticum)


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 Bifunctional Carbon Monoxide Dehydrogenase/Acetyl-Coa Synthase(Codh/Acs) From Moorella Thermoacetica (F. Clostridium Thermoaceticum) within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe800 b:42.7 occ:1.00 FE1 A:XCC800 0.0 42.7 1.0 S2 A:XCC800 2.3 44.3 1.0 SG A:CYS355 2.3 32.0 1.0 S4 A:XCC800 2.3 46.0 1.0 S3 A:XCC800 2.3 43.6 1.0 FE3 A:XCC800 2.8 46.2 1.0 FE4 A:XCC800 2.8 45.4 1.0 NI A:XCC800 3.1 45.9 1.0 CB A:CYS355 3.4 27.4 1.0 FE2 A:XCC800 3.4 39.4 1.0 NZ A:LYS587 3.5 21.7 1.0 S1 A:XCC800 3.9 44.7 1.0 CE1 A:HIS283 3.9 32.7 1.0 NE2 A:HIS283 3.9 35.4 1.0 CE A:LYS587 4.2 23.2 1.0 OG A:SER585 4.2 27.5 1.0 CB A:SER585 4.6 21.0 1.0 CA A:CYS355 4.7 24.0 1.0 SG A:CYS470 4.8 39.5 1.0 SG A:CYS500 5.0 41.5 1.0

Iron binding site 10 out of 56 in the Crystal Structure of Bifunctional Carbon Monoxide Dehydrogenase/Acetyl-Coa Synthase(Codh/Acs) From Moorella Thermoacetica (F. Clostridium Thermoaceticum)


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 Bifunctional Carbon Monoxide Dehydrogenase/Acetyl-Coa Synthase(Codh/Acs) From Moorella Thermoacetica (F. Clostridium Thermoaceticum) within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe800 b:39.4 occ:1.00 FE2 A:XCC800 0.0 39.4 1.0 S3 A:XCC800 1.9 43.6 1.0 NE2 A:HIS283 2.0 35.4 1.0 SG A:CYS317 2.3 32.9 1.0 NI A:XCC800 2.7 45.9 1.0 CE1 A:HIS283 2.9 32.7 1.0 CD2 A:HIS283 3.0 31.4 1.0 SG A:CYS550 3.3 45.7 1.0 FE1 A:XCC800 3.4 42.7 1.0 CB A:CYS317 3.4 28.5 1.0 NZ A:LYS587 3.7 21.7 1.0 CB A:CYS550 3.8 34.9 1.0 FE4 A:XCC800 3.8 45.4 1.0 S4 A:XCC800 3.9 46.0 1.0 ND1 A:HIS283 4.0 30.6 1.0 CG A:HIS283 4.1 29.9 1.0 S1 A:XCC800 4.3 44.7 1.0 N A:CYS317 4.3 25.6 1.0 CA A:CYS317 4.5 25.9 1.0 N A:CYS550 4.7 28.1 1.0 FE3 A:XCC800 4.8 46.2 1.0 SG A:CYS355 4.8 32.0 1.0 CE A:LYS587 4.8 23.2 1.0 CA A:CYS550 4.9 30.0 1.0

T.I.Doukov, T.M.Iverson, J.Seravalli, S.W.Ragsdale, C.L.Drennan. A Ni-Fe-Cu Center in A Bifunctional Carbon Monoxide Dehydrogenase/Acetyl-Coa Synthase Science V. 298 567 2002.
ISSN: ISSN 0036-8075
PubMed: 12386327
DOI: 10.1126/SCIENCE.1075843