Iron in PDB 9fnj: Half-Closed Codh/Acs in the Acetylated State

All present enzymatic activity of Half-Closed Codh/Acs in the Acetylated State:
2.3.1.169;

The structure of Half-Closed Codh/Acs in the Acetylated State also contains other interesting chemical elements:

Nickel	(Ni)	4 atoms
Sodium	(Na)	1 atom

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 24;

Binding sites:

The binding sites of Iron atom in the Half-Closed Codh/Acs in the Acetylated State (pdb code 9fnj). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 24 binding sites of Iron where determined in the Half-Closed Codh/Acs in the Acetylated State, PDB code: 9fnj:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iron binding site 1 out of 24 in the Half-Closed Codh/Acs in the Acetylated State


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Half-Closed Codh/Acs in the Acetylated State within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe701 b:24.2 occ:0.40 FE1 A:RQM701 0.0 24.2 0.4 S3 A:RQM701 2.2 28.6 0.6 S4 A:RQM701 2.4 28.3 0.5 S2 A:RQM701 2.4 24.5 0.5 FE2 A:RQM701 2.6 31.7 0.2 FE3 A:RQM701 2.6 27.8 0.3 FE4 A:RQM701 2.6 31.8 0.4 SG A:CYS354 2.9 38.6 1.0 CB A:CYS354 3.2 18.5 1.0 NI A:RQM701 3.7 25.3 0.2 S1 A:RQM701 3.8 26.9 0.7 NE2 A:HIS282 3.8 27.5 1.0 CE1 A:HIS282 3.9 22.7 1.0 NZ A:LYS583 4.0 25.7 1.0 CA A:CYS354 4.7 19.5 1.0 CE A:LYS583 4.8 23.4 1.0 OG A:SER581 4.8 15.6 1.0 CE A:MET580 4.9 16.5 1.0

Iron binding site 2 out of 24 in the Half-Closed Codh/Acs in the Acetylated State


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Half-Closed Codh/Acs in the Acetylated State within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe701 b:31.7 occ:0.24 FE2 A:RQM701 0.0 31.7 0.2 S3 A:RQM701 2.4 28.6 0.6 NI A:RQM701 2.5 25.3 0.2 S4 A:RQM701 2.6 28.3 0.5 FE1 A:RQM701 2.6 24.2 0.4 NE2 A:HIS282 2.8 27.5 1.0 SG A:CYS316 3.1 38.6 1.0 O A:HOH1066 3.2 35.5 1.0 SG A:CYS546 3.2 48.4 1.0 FE4 A:RQM701 3.3 31.8 0.4 S1 A:RQM701 3.4 26.9 0.7 FE3 A:RQM701 3.6 27.8 0.3 NZ A:LYS583 3.6 25.7 1.0 CE1 A:HIS282 3.6 22.7 1.0 CD2 A:HIS282 3.8 25.6 1.0 CB A:CYS546 3.9 23.5 1.0 CE A:LYS583 4.0 23.4 1.0 CB A:CYS316 4.4 24.4 1.0 S2 A:RQM701 4.5 24.5 0.5 ND1 A:HIS282 4.8 21.1 1.0 SG A:CYS354 4.8 38.6 1.0 CG A:HIS282 4.9 23.7 1.0 O A:HOH1072 5.0 27.2 1.0

Iron binding site 3 out of 24 in the Half-Closed Codh/Acs in the Acetylated State


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Half-Closed Codh/Acs in the Acetylated State within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe701 b:27.8 occ:0.28 FE3 A:RQM701 0.0 27.8 0.3 S4 A:RQM701 2.2 28.3 0.5 S1 A:RQM701 2.3 26.9 0.7 S2 A:RQM701 2.4 24.5 0.5 FE1 A:RQM701 2.6 24.2 0.4 NI A:RQM701 2.6 25.3 0.2 FE4 A:RQM701 2.7 31.8 0.4 CB A:CYS467 3.0 29.6 1.0 SG A:CYS467 3.0 34.2 1.0 FE2 A:RQM701 3.6 31.7 0.2 OG A:SER581 3.8 15.6 1.0 CA A:CYS467 3.8 22.0 1.0 S3 A:RQM701 4.0 28.6 0.6 N A:CYS467 4.2 24.2 1.0 CE A:MET580 4.3 16.5 1.0 SG A:CYS354 4.4 38.6 1.0 C A:GLY466 4.5 25.6 1.0 CB A:SER581 4.5 14.4 1.0 O A:GLY466 4.7 22.9 1.0 SG A:CYS546 5.0 48.4 1.0

Iron binding site 4 out of 24 in the Half-Closed Codh/Acs in the Acetylated State


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Half-Closed Codh/Acs in the Acetylated State within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe701 b:31.8 occ:0.39 FE4 A:RQM701 0.0 31.8 0.4 S2 A:RQM701 2.3 24.5 0.5 S3 A:RQM701 2.3 28.6 0.6 S1 A:RQM701 2.3 26.9 0.7 FE1 A:RQM701 2.6 24.2 0.4 FE3 A:RQM701 2.7 27.8 0.3 SG A:CYS497 3.0 46.9 1.0 FE2 A:RQM701 3.3 31.7 0.2 O A:HOH1072 3.6 27.2 1.0 NI A:RQM701 3.8 25.3 0.2 CB A:CYS497 3.9 20.1 1.0 S4 A:RQM701 3.9 28.3 0.5 CB A:CYS467 4.3 29.6 1.0 N A:CYS497 4.4 23.4 1.0 CA A:CYS467 4.4 22.0 1.0 CB A:PHE333 4.5 22.4 1.0 O A:GLY466 4.6 22.9 1.0 SG A:CYS546 4.7 48.4 1.0 CA A:CYS497 4.7 23.5 1.0 SG A:CYS316 4.7 38.6 1.0 SG A:CYS315 4.8 41.6 1.0

Iron binding site 5 out of 24 in the Half-Closed Codh/Acs in the Acetylated State


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Half-Closed Codh/Acs in the Acetylated State within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe702 b:25.4 occ:1.00 FE1 A:FES702 0.0 25.4 1.0 SG A:CYS59 2.3 17.2 1.0 S2 A:FES702 2.3 11.7 1.0 S1 A:FES702 2.3 9.7 1.0 S2 B:FES702 2.3 11.7 1.0 FE2 B:FES702 2.7 23.7 1.0 FE2 A:FES702 2.8 21.7 1.0 FE1 B:FES702 2.8 23.9 1.0 CB A:CYS59 3.2 8.8 1.0 S1 B:FES702 3.8 11.2 1.0 N A:GLY62 4.1 12.6 1.0 CB A:PHE61 4.3 16.9 1.0 NH1 B:ARG77 4.6 24.4 1.0 CA A:GLY62 4.6 9.6 1.0 CA A:CYS59 4.7 14.6 1.0 SG B:CYS67 4.7 16.4 1.0 SG B:CYS59 4.8 15.2 1.0 SG A:CYS67 4.9 18.4 1.0 CD2 A:PHE61 4.9 13.8 1.0 C A:PHE61 5.0 14.3 1.0 CB A:CYS67 5.0 1.7 1.0

Iron binding site 6 out of 24 in the Half-Closed Codh/Acs in the Acetylated State


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Half-Closed Codh/Acs in the Acetylated State within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe702 b:21.7 occ:1.00 FE2 A:FES702 0.0 21.7 1.0 SG A:CYS67 2.3 18.4 1.0 S2 A:FES702 2.3 11.7 1.0 S1 B:FES702 2.3 11.2 1.0 S1 A:FES702 2.3 9.7 1.0 FE1 A:FES702 2.8 25.4 1.0 FE2 B:FES702 2.8 23.7 1.0 FE1 B:FES702 2.9 23.9 1.0 CB A:CYS67 3.1 1.7 1.0 O B:HOH802 3.9 14.6 1.0 S2 B:FES702 4.0 11.7 1.0 CA A:CYS67 4.5 5.5 1.0 SG B:CYS67 4.7 16.4 1.0 SG A:CYS59 4.8 17.2 1.0 N A:GLY62 4.9 12.6 1.0 CD A:ARG69 4.9 10.1 1.0 CG A:ARG77 4.9 17.6 1.0 CB A:PHE61 5.0 16.9 1.0

Iron binding site 7 out of 24 in the Half-Closed Codh/Acs in the Acetylated State


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of Half-Closed Codh/Acs in the Acetylated State within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe703 b:22.7 occ:1.00 FE1 A:SF4703 0.0 22.7 1.0 SG A:CYS71 2.3 14.0 1.0 S2 A:SF4703 2.3 13.7 1.0 S3 A:SF4703 2.3 12.6 1.0 S4 A:SF4703 2.3 13.2 1.0 FE4 A:SF4703 2.7 24.0 1.0 FE3 A:SF4703 2.7 26.7 1.0 FE2 A:SF4703 2.7 21.2 1.0 CB A:CYS71 3.2 12.8 1.0 N A:CYS71 3.5 3.6 1.0 CA A:CYS71 3.8 7.6 1.0 S1 A:SF4703 3.9 12.3 1.0 O A:CYS71 4.0 9.0 1.0 C A:CYS71 4.2 5.3 1.0 C A:PHE70 4.3 9.5 1.0 CG1 A:ILE220 4.4 12.7 1.0 N A:GLY74 4.5 6.0 1.0 N A:PHE70 4.6 11.0 1.0 CB A:GLN73 4.7 16.2 1.0 SG A:CYS89 4.7 12.4 1.0 SG A:CYS76 4.8 9.5 1.0 SG A:CYS68 4.8 14.4 1.0 CA A:PHE70 4.9 12.0 1.0 N A:GLN73 4.9 11.0 1.0 CA A:GLY74 4.9 14.3 1.0

Iron binding site 8 out of 24 in the Half-Closed Codh/Acs in the Acetylated State


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of Half-Closed Codh/Acs in the Acetylated State within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe703 b:21.2 occ:1.00 FE2 A:SF4703 0.0 21.2 1.0 S4 A:SF4703 2.3 13.2 1.0 S1 A:SF4703 2.3 12.3 1.0 S3 A:SF4703 2.3 12.6 1.0 SG A:CYS89 2.3 12.4 1.0 FE3 A:SF4703 2.7 26.7 1.0 FE1 A:SF4703 2.7 22.7 1.0 FE4 A:SF4703 2.7 24.0 1.0 CB A:CYS89 3.4 6.3 1.0 S2 A:SF4703 3.9 13.7 1.0 N A:CYS89 4.0 9.9 1.0 O A:HOH972 4.1 17.3 1.0 NH1 A:ARG99 4.3 13.5 1.0 CA A:CYS89 4.3 10.1 1.0 CB A:ALA91 4.3 11.8 1.0 CG1 A:ILE220 4.5 12.7 1.0 SG A:CYS71 4.6 14.0 1.0 N A:ILE88 4.7 15.7 1.0 SG A:CYS68 4.7 14.4 1.0 SG A:CYS76 4.8 9.5 1.0 CA A:GLY87 5.0 10.3 1.0

Iron binding site 9 out of 24 in the Half-Closed Codh/Acs in the Acetylated State


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 9 of Half-Closed Codh/Acs in the Acetylated State within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe703 b:26.7 occ:1.00 FE3 A:SF4703 0.0 26.7 1.0 SG A:CYS76 2.3 9.5 1.0 S4 A:SF4703 2.3 13.2 1.0 S1 A:SF4703 2.3 12.3 1.0 S2 A:SF4703 2.3 13.7 1.0 FE4 A:SF4703 2.7 24.0 1.0 FE1 A:SF4703 2.7 22.7 1.0 FE2 A:SF4703 2.7 21.2 1.0 CB A:CYS76 3.2 3.9 1.0 S3 A:SF4703 3.9 12.6 1.0 N A:ILE88 4.0 15.7 1.0 CA A:CYS76 4.4 6.8 1.0 N A:CYS76 4.4 14.2 1.0 CB A:ILE88 4.5 15.4 1.0 CA A:GLY74 4.5 14.3 1.0 CA A:GLY87 4.6 10.3 1.0 SG A:CYS71 4.6 14.0 1.0 N A:CYS89 4.7 9.9 1.0 SG A:CYS89 4.7 12.4 1.0 C A:GLY87 4.8 17.7 1.0 N A:GLY74 4.8 6.0 1.0 SG A:CYS68 4.8 14.4 1.0 CB A:CYS68 4.8 0.0 1.0 O A:CYS68 4.8 16.1 1.0 CA A:ILE88 4.8 11.4 1.0 CG1 A:ILE88 4.9 13.8 1.0

Iron binding site 10 out of 24 in the Half-Closed Codh/Acs in the Acetylated State


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 10 of Half-Closed Codh/Acs in the Acetylated State within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe703 b:24.0 occ:1.00 FE4 A:SF4703 0.0 24.0 1.0 S3 A:SF4703 2.3 12.6 1.0 SG A:CYS68 2.3 14.4 1.0 S2 A:SF4703 2.3 13.7 1.0 S1 A:SF4703 2.3 12.3 1.0 FE1 A:SF4703 2.7 22.7 1.0 FE3 A:SF4703 2.7 26.7 1.0 FE2 A:SF4703 2.7 21.2 1.0 CB A:CYS68 3.1 0.0 1.0 NH1 A:ARG99 3.7 13.5 1.0 S4 A:SF4703 3.9 13.2 1.0 N A:PHE70 3.9 11.0 1.0 C A:CYS68 4.1 4.9 1.0 CA A:CYS68 4.2 0.9 1.0 O A:CYS68 4.3 16.1 1.0 N A:ARG69 4.4 11.4 1.0 CB A:PHE70 4.4 6.6 1.0 N A:CYS71 4.5 3.6 1.0 CA A:PHE70 4.6 12.0 1.0 SG A:CYS76 4.7 9.5 1.0 CZ A:ARG99 4.7 11.9 1.0 C A:ARG69 4.8 6.6 1.0 CB A:CYS76 4.8 3.9 1.0 C A:PHE70 4.9 9.5 1.0 CA A:ARG69 4.9 10.5 1.0 SG A:CYS89 4.9 12.4 1.0 SG A:CYS71 5.0 14.0 1.0

J.Ruickoldt, P.Wendler, H.Dobbek. The Codh/Acs Complex Caught in Action To Be Published.