Iron in PDB 2z8y: Xenon-Bound Structure of Bifunctional Carbon Monoxide Dehydrogenase/Acetyl-Coa Synthase(Codh/Acs) From Moorella Thermoacetica

All present enzymatic activity of Xenon-Bound Structure of Bifunctional Carbon Monoxide Dehydrogenase/Acetyl-Coa Synthase(Codh/Acs) From Moorella Thermoacetica:
1.2.7.4; 1.2.99.2; 2.3.1.169;

The structure of Xenon-Bound Structure of Bifunctional Carbon Monoxide Dehydrogenase/Acetyl-Coa Synthase(Codh/Acs) From Moorella Thermoacetica, PDB code: 2z8y was solved by T.I.Doukov, L.C.Blasiak, C.L.Drennan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.00 / 2.51
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	99.540, 136.600, 141.750, 101.29, 109.22, 103.91
R / Rfree (%)	17.8 / 25

The structure of Xenon-Bound Structure of Bifunctional Carbon Monoxide Dehydrogenase/Acetyl-Coa Synthase(Codh/Acs) From Moorella Thermoacetica also contains other interesting chemical elements:

Nickel	(Ni)	8 atoms
Xenon	(Xe)	42 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 Xenon-Bound Structure of Bifunctional Carbon Monoxide Dehydrogenase/Acetyl-Coa Synthase(Codh/Acs) From Moorella Thermoacetica (pdb code 2z8y). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 56 binding sites of Iron where determined in the Xenon-Bound Structure of Bifunctional Carbon Monoxide Dehydrogenase/Acetyl-Coa Synthase(Codh/Acs) From Moorella Thermoacetica, PDB code: 2z8y:
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 Xenon-Bound Structure of Bifunctional Carbon Monoxide Dehydrogenase/Acetyl-Coa Synthase(Codh/Acs) From Moorella Thermoacetica


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Xenon-Bound Structure of Bifunctional Carbon Monoxide Dehydrogenase/Acetyl-Coa Synthase(Codh/Acs) From Moorella Thermoacetica within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe700 b:14.8 occ:1.00 FE1 A:SF4700 0.0 14.8 1.0 S2 A:SF4700 2.2 13.9 1.0 SG A:CYS76 2.2 11.4 1.0 S4 A:SF4700 2.3 11.8 1.0 S3 A:SF4700 2.3 13.2 1.0 FE4 A:SF4700 2.6 12.3 1.0 FE3 A:SF4700 2.6 14.2 1.0 FE2 A:SF4700 2.7 10.8 1.0 CB A:CYS76 3.4 13.7 1.0 S1 A:SF4700 3.7 11.2 1.0 N A:ILE89 4.1 13.7 1.0 CA A:GLY74 4.3 16.7 1.0 N A:GLY74 4.4 15.4 1.0 SG A:CYS68 4.5 8.3 1.0 SG A:CYS71 4.5 16.7 1.0 N A:CYS76 4.5 15.1 1.0 CA A:CYS76 4.5 15.4 1.0 CA A:GLY88 4.6 15.1 1.0 SG A:CYS90 4.6 14.8 1.0 CB A:ALA73 4.6 16.2 1.0 N A:CYS90 4.7 12.7 1.0 CB A:ILE89 4.7 14.6 1.0 O A:CYS68 4.7 13.8 1.0 C A:GLY88 4.8 14.8 1.0 C A:ALA73 4.8 16.5 1.0 CB A:CYS68 4.9 13.3 1.0 CA A:ILE89 4.9 13.6 1.0 CD1 A:ILE89 5.0 13.0 1.0

Iron binding site 2 out of 56 in the Xenon-Bound Structure of Bifunctional Carbon Monoxide Dehydrogenase/Acetyl-Coa Synthase(Codh/Acs) From Moorella Thermoacetica


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Xenon-Bound Structure of Bifunctional Carbon Monoxide Dehydrogenase/Acetyl-Coa Synthase(Codh/Acs) From Moorella Thermoacetica within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe700 b:10.8 occ:1.00 FE2 A:SF4700 0.0 10.8 1.0 S1 A:SF4700 2.1 11.2 1.0 SG A:CYS68 2.2 8.3 1.0 S3 A:SF4700 2.3 13.2 1.0 S4 A:SF4700 2.3 11.8 1.0 FE4 A:SF4700 2.6 12.3 1.0 FE3 A:SF4700 2.7 14.2 1.0 FE1 A:SF4700 2.7 14.8 1.0 CB A:CYS68 3.5 13.3 1.0 NH1 A:ARG100 3.8 13.6 1.0 S2 A:SF4700 3.9 13.9 1.0 N A:PHE70 4.0 15.1 1.0 O A:CYS68 4.3 13.8 1.0 C A:CYS68 4.3 12.6 1.0 CB A:PHE70 4.4 15.8 1.0 N A:CYS71 4.4 14.6 1.0 CA A:CYS68 4.5 12.1 1.0 CA A:PHE70 4.6 15.5 1.0 CZ A:ARG100 4.6 15.0 1.0 SG A:CYS76 4.6 11.4 1.0 SG A:CYS90 4.7 14.8 1.0 N A:ARG69 4.7 13.1 1.0 SG A:CYS71 4.7 16.7 1.0 C A:PHE70 4.9 16.1 1.0 CB A:CYS76 5.0 13.7 1.0

Iron binding site 3 out of 56 in the Xenon-Bound Structure of Bifunctional Carbon Monoxide Dehydrogenase/Acetyl-Coa Synthase(Codh/Acs) From Moorella Thermoacetica


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Xenon-Bound Structure of Bifunctional Carbon Monoxide Dehydrogenase/Acetyl-Coa Synthase(Codh/Acs) From Moorella Thermoacetica within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe700 b:14.2 occ:1.00 FE3 A:SF4700 0.0 14.2 1.0 SG A:CYS71 2.1 16.7 1.0 S1 A:SF4700 2.2 11.2 1.0 S4 A:SF4700 2.2 11.8 1.0 S2 A:SF4700 2.3 13.9 1.0 FE1 A:SF4700 2.6 14.8 1.0 FE2 A:SF4700 2.7 10.8 1.0 FE4 A:SF4700 2.8 12.3 1.0 CB A:CYS71 3.3 15.1 1.0 N A:CYS71 3.5 14.6 1.0 CA A:CYS71 3.7 14.7 1.0 S3 A:SF4700 3.9 13.2 1.0 C A:CYS71 4.1 14.1 1.0 CB A:ALA73 4.1 16.2 1.0 O A:CYS71 4.2 13.2 1.0 CG A:MET221 4.3 12.1 1.0 N A:GLY74 4.3 15.4 1.0 N A:ALA73 4.4 14.5 1.0 C A:PHE70 4.4 16.1 1.0 CB A:MET221 4.6 13.2 1.0 CA A:ALA73 4.7 15.3 1.0 SG A:CYS76 4.7 11.4 1.0 SG A:CYS90 4.7 14.8 1.0 SG A:CYS68 4.7 8.3 1.0 CE B:MET584 4.8 13.3 1.0 C A:ALA73 4.8 16.5 1.0 N A:PHE70 4.9 15.1 1.0 CA A:GLY74 4.9 16.7 1.0

Iron binding site 4 out of 56 in the Xenon-Bound Structure of Bifunctional Carbon Monoxide Dehydrogenase/Acetyl-Coa Synthase(Codh/Acs) From Moorella Thermoacetica


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Xenon-Bound Structure of Bifunctional Carbon Monoxide Dehydrogenase/Acetyl-Coa Synthase(Codh/Acs) From Moorella Thermoacetica within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe700 b:12.3 occ:1.00 FE4 A:SF4700 0.0 12.3 1.0 S3 A:SF4700 2.2 13.2 1.0 S1 A:SF4700 2.3 11.2 1.0 SG A:CYS90 2.3 14.8 1.0 S2 A:SF4700 2.3 13.9 1.0 FE1 A:SF4700 2.6 14.8 1.0 FE2 A:SF4700 2.6 10.8 1.0 FE3 A:SF4700 2.8 14.2 1.0 CB A:CYS90 3.5 11.0 1.0 S4 A:SF4700 3.8 11.8 1.0 N A:CYS90 4.0 12.7 1.0 NH1 A:ARG100 4.2 13.6 1.0 CG A:MET221 4.2 12.1 1.0 CA A:CYS90 4.3 12.4 1.0 SG A:CYS71 4.5 16.7 1.0 CB A:ALA92 4.6 9.4 1.0 SG A:CYS76 4.6 11.4 1.0 SG A:CYS68 4.6 8.3 1.0 N A:ILE89 4.6 13.7 1.0 O A:HOH1031 4.7 9.2 1.0 CA A:GLY88 4.8 15.1 1.0 C A:GLY88 4.9 14.8 1.0 CB A:MET221 5.0 13.2 1.0 CZ A:ARG100 5.0 15.0 1.0

Iron binding site 5 out of 56 in the Xenon-Bound Structure of Bifunctional Carbon Monoxide Dehydrogenase/Acetyl-Coa Synthase(Codh/Acs) From Moorella Thermoacetica


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Xenon-Bound Structure of Bifunctional Carbon Monoxide Dehydrogenase/Acetyl-Coa Synthase(Codh/Acs) From Moorella Thermoacetica within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe750 b:15.4 occ:1.00 FE1 A:SF4750 0.0 15.4 1.0 S3 A:SF4750 2.3 15.9 1.0 S2 A:SF4750 2.3 15.9 1.0 S4 A:SF4750 2.3 13.3 1.0 SG B:CYS67 2.4 14.1 1.0 FE3 A:SF4750 2.7 12.2 1.0 FE2 A:SF4750 2.7 17.9 1.0 FE4 A:SF4750 2.7 16.3 1.0 CB B:CYS67 3.1 12.2 1.0 S1 A:SF4750 3.7 14.9 1.0 NE A:ARG69 4.2 17.4 1.0 NH2 A:ARG69 4.3 14.5 1.0 NE B:ARG69 4.4 21.9 1.0 CA B:CYS67 4.5 13.1 1.0 SG A:CYS67 4.6 15.2 1.0 SG A:CYS59 4.7 13.7 1.0 CZ A:ARG69 4.7 20.5 1.0 SG B:CYS59 4.9 17.4 1.0 CB A:CYS59 4.9 15.4 1.0 CD B:ARG69 4.9 13.4 1.0

Iron binding site 6 out of 56 in the Xenon-Bound Structure of Bifunctional Carbon Monoxide Dehydrogenase/Acetyl-Coa Synthase(Codh/Acs) From Moorella Thermoacetica


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Xenon-Bound Structure of Bifunctional Carbon Monoxide Dehydrogenase/Acetyl-Coa Synthase(Codh/Acs) From Moorella Thermoacetica within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe750 b:17.9 occ:1.00 FE2 A:SF4750 0.0 17.9 1.0 SG A:CYS59 2.3 13.7 1.0 S1 A:SF4750 2.3 14.9 1.0 S4 A:SF4750 2.3 13.3 1.0 S3 A:SF4750 2.3 15.9 1.0 FE1 A:SF4750 2.7 15.4 1.0 FE3 A:SF4750 2.7 12.2 1.0 FE4 A:SF4750 2.9 16.3 1.0 CB A:CYS59 3.2 15.4 1.0 S2 A:SF4750 3.9 15.9 1.0 N A:GLY62 4.2 18.2 1.0 O B:HOH1219 4.3 38.2 1.0 CA A:CYS59 4.6 14.3 1.0 CA A:GLY62 4.6 18.3 1.0 CB A:ILE61 4.7 20.7 1.0 SG B:CYS67 4.8 14.1 1.0 SG A:CYS67 4.8 15.2 1.0 CB A:CYS67 4.9 10.8 1.0 CD1 A:ILE61 5.0 35.2 1.0

Iron binding site 7 out of 56 in the Xenon-Bound Structure of Bifunctional Carbon Monoxide Dehydrogenase/Acetyl-Coa Synthase(Codh/Acs) From Moorella Thermoacetica


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of Xenon-Bound Structure of Bifunctional Carbon Monoxide Dehydrogenase/Acetyl-Coa Synthase(Codh/Acs) From Moorella Thermoacetica within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe750 b:12.2 occ:1.00 FE3 A:SF4750 0.0 12.2 1.0 S1 A:SF4750 2.2 14.9 1.0 SG A:CYS67 2.3 15.2 1.0 S4 A:SF4750 2.3 13.3 1.0 S2 A:SF4750 2.3 15.9 1.0 FE1 A:SF4750 2.7 15.4 1.0 FE2 A:SF4750 2.7 17.9 1.0 FE4 A:SF4750 2.8 16.3 1.0 CB A:CYS67 3.1 10.8 1.0 S3 A:SF4750 3.9 15.9 1.0 NE A:ARG69 4.3 17.4 1.0 NH2 B:ARG69 4.4 23.6 1.0 NE B:ARG69 4.4 21.9 1.0 CA A:CYS67 4.5 12.0 1.0 SG A:CYS59 4.8 13.7 1.0 SG B:CYS67 4.8 14.1 1.0 CZ B:ARG69 4.9 25.8 1.0 SG B:CYS59 4.9 17.4 1.0 CD A:ARG69 4.9 16.7 1.0 CB B:CYS59 5.0 15.6 1.0

Iron binding site 8 out of 56 in the Xenon-Bound Structure of Bifunctional Carbon Monoxide Dehydrogenase/Acetyl-Coa Synthase(Codh/Acs) From Moorella Thermoacetica


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of Xenon-Bound Structure of Bifunctional Carbon Monoxide Dehydrogenase/Acetyl-Coa Synthase(Codh/Acs) From Moorella Thermoacetica within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe750 b:16.3 occ:1.00 FE4 A:SF4750 0.0 16.3 1.0 S1 A:SF4750 2.3 14.9 1.0 S3 A:SF4750 2.3 15.9 1.0 S2 A:SF4750 2.3 15.9 1.0 SG B:CYS59 2.4 17.4 1.0 FE1 A:SF4750 2.7 15.4 1.0 FE3 A:SF4750 2.8 12.2 1.0 FE2 A:SF4750 2.9 17.9 1.0 CB B:CYS59 3.3 15.6 1.0 S4 A:SF4750 4.0 13.3 1.0 N B:GLY62 4.1 17.6 1.0 O B:HOH1219 4.4 38.2 1.0 CA B:GLY62 4.6 17.4 1.0 CB B:ILE61 4.6 19.9 1.0 CA B:CYS59 4.7 15.6 1.0 SG A:CYS67 4.7 15.2 1.0 CB B:CYS67 4.9 12.2 1.0 SG A:CYS59 4.9 13.7 1.0 SG B:CYS67 4.9 14.1 1.0 CG2 B:ILE61 5.0 17.3 1.0

Iron binding site 9 out of 56 in the Xenon-Bound Structure of Bifunctional Carbon Monoxide Dehydrogenase/Acetyl-Coa Synthase(Codh/Acs) From Moorella Thermoacetica


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 9 of Xenon-Bound Structure of Bifunctional Carbon Monoxide Dehydrogenase/Acetyl-Coa Synthase(Codh/Acs) From Moorella Thermoacetica within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe800 b:42.9 occ:1.00 FE1 A:XCC800 0.0 42.9 1.0 S4 A:XCC800 2.3 56.7 1.0 S2 A:XCC800 2.3 49.0 1.0 SG A:CYS355 2.3 21.5 1.0 S3 A:XCC800 2.4 44.6 1.0 FE4 A:XCC800 2.8 48.5 1.0 FE3 A:XCC800 3.1 50.5 1.0 CB A:CYS355 3.2 13.6 1.0 S1 A:XCC800 3.2 51.5 1.0 FE2 A:XCC800 3.4 37.6 1.0 NI A:XCC800 3.7 57.1 1.0 NZ A:LYS587 3.8 17.4 1.0 NE2 A:HIS283 3.9 24.4 1.0 CE1 A:HIS283 3.9 22.0 1.0 OG A:SER585 4.2 9.9 1.0 CE A:LYS587 4.5 20.1 1.0 CA A:CYS355 4.5 14.7 1.0 CB A:SER585 4.8 12.1 1.0 SG A:CYS316 4.8 29.0 1.0 CE B:MET221 4.9 11.3 1.0 N A:CYS355 5.0 13.8 1.0 CD1 A:PHE334 5.0 14.8 1.0

Iron binding site 10 out of 56 in the Xenon-Bound Structure of Bifunctional Carbon Monoxide Dehydrogenase/Acetyl-Coa Synthase(Codh/Acs) From Moorella Thermoacetica


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 10 of Xenon-Bound Structure of Bifunctional Carbon Monoxide Dehydrogenase/Acetyl-Coa Synthase(Codh/Acs) From Moorella Thermoacetica within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe800 b:37.6 occ:1.00 FE2 A:XCC800 0.0 37.6 1.0 NE2 A:HIS283 2.0 24.4 1.0 SG A:CYS317 2.2 23.7 1.0 S3 A:XCC800 2.3 44.6 1.0 CD2 A:HIS283 2.9 20.8 1.0 NI A:XCC800 2.9 57.1 1.0 CE1 A:HIS283 3.1 22.0 1.0 SG A:CYS550 3.1 36.4 1.0 FE1 A:XCC800 3.4 42.9 1.0 CB A:CYS317 3.5 18.0 1.0 NZ A:LYS587 3.6 17.4 1.0 S4 A:XCC800 3.6 56.7 1.0 CB A:CYS550 3.7 22.9 1.0 S1 A:XCC800 3.8 51.5 1.0 FE4 A:XCC800 3.9 48.5 1.0 CG A:HIS283 4.0 20.7 1.0 ND1 A:HIS283 4.1 22.4 1.0 O A:HOH1138 4.2 29.1 1.0 N A:CYS317 4.2 20.1 1.0 CA A:CYS317 4.4 19.4 1.0 N A:CYS550 4.6 20.2 1.0 CA A:CYS550 4.8 21.0 1.0 SG A:CYS355 4.9 21.5 1.0 CE A:LYS587 5.0 20.1 1.0

T.I.Doukov, L.C.Blasiak, J.Seravalli, S.W.Ragsdale, C.L.Drennan. Xenon in and at the End of the Tunnel of Bifunctional Carbon Monoxide Dehydrogenase/Acetyl-Coa Synthase Biochemistry V. 47 3474 2008.
ISSN: ISSN 0006-2960
PubMed: 18293927
DOI: 10.1021/BI702386T