Iron in PDB 9fr1: Half-Closed Codh/Acs in the As-Isolated State

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

The structure of Half-Closed Codh/Acs in the As-Isolated 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 As-Isolated State (pdb code 9fr1). 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 As-Isolated State, PDB code: 9fr1:
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 As-Isolated 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 As-Isolated State within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe701 b:67.0 occ:0.43 FE1 A:RQM701 0.0 67.0 0.4 SG A:CYS354 2.2 39.2 1.0 S3 A:RQM701 2.3 57.0 0.6 S4 A:RQM701 2.4 47.5 0.7 S2 A:RQM701 2.4 52.6 0.8 FE3 A:RQM701 2.6 66.9 0.5 FE4 A:RQM701 2.7 58.6 0.6 CB A:CYS354 3.3 31.7 1.0 NI A:RQM701 3.3 53.6 0.2 FE2 A:RQM701 3.4 66.3 0.6 S1 A:RQM701 3.7 56.5 0.3 NE2 A:HIS282 4.3 45.0 1.0 NZ A:LYS583 4.3 37.4 1.0 SG A:CYS467 4.4 43.5 1.0 CE A:MET580 4.4 16.3 1.0 CE1 A:HIS282 4.4 33.7 1.0 OG A:SER581 4.5 23.8 1.0 CA A:CYS354 4.7 35.2 1.0 SG A:CYS497 4.7 55.2 1.0 CB A:CYS467 4.7 41.6 1.0 CB A:SER581 4.9 20.6 1.0

Iron binding site 2 out of 24 in the Half-Closed Codh/Acs in the As-Isolated 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 As-Isolated State within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe701 b:66.3 occ:0.57 FE2 A:RQM701 0.0 66.3 0.6 NE2 A:HIS282 2.2 45.0 1.0 SG A:CYS316 2.3 48.5 1.0 S3 A:RQM701 2.3 57.0 0.6 NI A:RQM701 2.6 53.6 0.2 CD2 A:HIS282 3.1 36.3 1.0 CE1 A:HIS282 3.2 33.7 1.0 SG A:CYS546 3.3 76.6 1.0 FE1 A:RQM701 3.4 67.0 0.4 CB A:CYS316 3.5 33.7 1.0 O A:HOH895 3.7 48.9 1.0 S4 A:RQM701 3.7 47.5 0.7 CB A:CYS546 3.7 43.4 1.0 FE4 A:RQM701 3.7 58.6 0.6 NZ A:LYS583 3.8 37.4 1.0 S1 A:RQM701 3.9 56.5 0.3 CG A:HIS282 4.2 31.5 1.0 ND1 A:HIS282 4.2 27.1 1.0 CE A:LYS583 4.3 36.0 1.0 SG A:CYS354 4.5 39.2 1.0 FE3 A:RQM701 4.5 66.9 0.5 N A:CYS316 4.6 39.2 1.0 CA A:CYS316 4.6 39.6 1.0 N A:CYS546 4.7 31.2 1.0 CA A:CYS546 4.9 36.7 1.0

Iron binding site 3 out of 24 in the Half-Closed Codh/Acs in the As-Isolated 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 As-Isolated State within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe701 b:66.9 occ:0.48 FE3 A:RQM701 0.0 66.9 0.5 SG A:CYS467 2.2 43.5 1.0 S4 A:RQM701 2.2 47.5 0.7 S1 A:RQM701 2.3 56.5 0.3 S2 A:RQM701 2.4 52.6 0.8 FE1 A:RQM701 2.6 67.0 0.4 FE4 A:RQM701 2.7 58.6 0.6 NI A:RQM701 2.8 53.6 0.2 CB A:CYS467 2.8 41.6 1.0 CA A:CYS467 3.3 37.8 1.0 N A:CYS467 3.6 43.0 1.0 O A:HOH1009 3.7 46.0 1.0 OG A:SER581 3.8 23.8 1.0 C A:GLY466 3.9 34.9 1.0 S3 A:RQM701 4.0 57.0 0.6 O A:GLY466 4.2 38.1 1.0 SG A:CYS497 4.3 55.2 1.0 SG A:CYS546 4.4 76.6 1.0 SG A:CYS354 4.5 39.2 1.0 CE A:MET580 4.5 16.3 1.0 FE2 A:RQM701 4.5 66.3 0.6 CA A:GLY466 4.7 37.7 1.0 CB A:SER581 4.7 20.6 1.0 C A:CYS467 4.8 39.0 1.0

Iron binding site 4 out of 24 in the Half-Closed Codh/Acs in the As-Isolated 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 As-Isolated State within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe701 b:58.6 occ:0.55 FE4 A:RQM701 0.0 58.6 0.6 SG A:CYS497 2.2 55.2 1.0 S2 A:RQM701 2.3 52.6 0.8 S1 A:RQM701 2.3 56.5 0.3 S3 A:RQM701 2.3 57.0 0.6 FE3 A:RQM701 2.7 66.9 0.5 FE1 A:RQM701 2.7 67.0 0.4 NI A:RQM701 3.6 53.6 0.2 CB A:CYS497 3.7 33.6 1.0 FE2 A:RQM701 3.7 66.3 0.6 S4 A:RQM701 4.0 47.5 0.7 N A:CYS497 4.2 30.0 1.0 CA A:CYS467 4.3 37.8 1.0 SG A:CYS546 4.4 76.6 1.0 O A:GLY466 4.4 38.1 1.0 CB A:CYS467 4.4 41.6 1.0 CA A:CYS497 4.5 27.0 1.0 SG A:CYS315 4.6 49.8 0.5 SG A:CYS315 4.6 50.2 0.5 CB A:PHE333 4.6 30.6 1.0 SG A:CYS467 4.7 43.5 1.0 SG A:CYS316 4.7 48.5 1.0 SG A:CYS354 4.9 39.2 1.0 C A:GLY466 4.9 34.9 1.0 N A:CYS467 4.9 43.0 1.0

Iron binding site 5 out of 24 in the Half-Closed Codh/Acs in the As-Isolated 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 As-Isolated State within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe702 b:40.4 occ:1.00 FE2 A:SF4702 0.0 40.4 1.0 SG A:CYS67 2.2 38.2 1.0 S1 B:SF4702 2.3 43.2 1.0 S4 A:SF4702 2.3 38.0 1.0 S1 A:SF4702 2.3 24.9 1.0 FE3 A:SF4702 2.8 53.3 1.0 FE3 B:SF4702 2.8 44.8 1.0 FE2 B:SF4702 3.0 46.9 1.0 CB A:CYS67 3.1 22.7 1.0 S4 B:SF4702 4.0 27.2 1.0 CA A:CYS67 4.5 24.7 1.0 SG A:CYS59 4.8 34.5 1.0 CG A:ARG77 4.8 17.0 1.0 CB A:PHE61 4.8 22.9 1.0 SG B:CYS59 4.8 36.6 1.0 N A:GLY62 4.9 30.5 1.0 CB A:PRO75 5.0 26.1 1.0 SG B:CYS67 5.0 42.7 1.0

Iron binding site 6 out of 24 in the Half-Closed Codh/Acs in the As-Isolated 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 As-Isolated State within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe702 b:53.3 occ:1.00 FE3 A:SF4702 0.0 53.3 1.0 S1 A:SF4702 2.3 24.9 1.0 SG A:CYS59 2.3 34.5 1.0 S4 A:SF4702 2.3 38.0 1.0 S4 B:SF4702 2.3 27.2 1.0 FE2 B:SF4702 2.6 46.9 1.0 FE2 A:SF4702 2.8 40.4 1.0 FE3 B:SF4702 2.9 44.8 1.0 CB A:CYS59 3.4 27.3 1.0 S1 B:SF4702 3.8 43.2 1.0 N A:GLY62 4.1 30.5 1.0 CB A:PHE61 4.3 22.9 1.0 SG B:CYS67 4.6 42.7 1.0 CA A:GLY62 4.7 22.7 1.0 SG B:CYS59 4.8 36.6 1.0 CA A:CYS59 4.8 29.5 1.0 NH1 B:ARG77 4.8 27.8 1.0 SG A:CYS67 4.9 38.2 1.0 C A:PHE61 5.0 18.2 1.0

Iron binding site 7 out of 24 in the Half-Closed Codh/Acs in the As-Isolated 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 As-Isolated State within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe703 b:37.0 occ:1.00 FE1 A:SF4703 0.0 37.0 1.0 SG A:CYS71 2.3 26.4 1.0 S2 A:SF4703 2.3 19.5 1.0 S3 A:SF4703 2.3 23.4 1.0 S4 A:SF4703 2.3 21.9 1.0 FE4 A:SF4703 2.7 43.0 1.0 FE3 A:SF4703 2.7 42.1 1.0 FE2 A:SF4703 2.7 39.8 1.0 CB A:CYS71 3.2 24.3 1.0 N A:CYS71 3.5 26.8 1.0 CA A:CYS71 3.8 24.9 1.0 S1 A:SF4703 3.9 24.6 1.0 CG1 A:ILE220 4.2 23.2 1.0 O A:CYS71 4.3 14.7 1.0 C A:CYS71 4.3 18.2 1.0 C A:PHE70 4.3 23.3 1.0 N A:PHE70 4.5 17.1 1.0 N A:GLY74 4.6 25.5 1.0 SG A:CYS89 4.6 30.7 1.0 SG A:CYS68 4.8 24.9 1.0 SG A:CYS76 4.8 25.0 1.0 CA A:PHE70 4.9 26.7 1.0 CB A:GLN73 4.9 35.6 1.0 CB A:ILE220 5.0 30.5 1.0 N A:GLN73 5.0 27.5 1.0 CA A:GLY74 5.0 19.0 1.0

Iron binding site 8 out of 24 in the Half-Closed Codh/Acs in the As-Isolated 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 As-Isolated State within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe703 b:39.8 occ:1.00 FE2 A:SF4703 0.0 39.8 1.0 S1 A:SF4703 2.3 24.6 1.0 S4 A:SF4703 2.3 21.9 1.0 S3 A:SF4703 2.3 23.4 1.0 SG A:CYS89 2.3 30.7 1.0 FE4 A:SF4703 2.7 43.0 1.0 FE1 A:SF4703 2.7 37.0 1.0 FE3 A:SF4703 2.7 42.1 1.0 CB A:CYS89 3.6 33.5 1.0 S2 A:SF4703 3.9 19.5 1.0 N A:CYS89 4.0 22.0 1.0 CB A:ALA91 4.2 26.6 1.0 CA A:CYS89 4.4 19.1 1.0 NH1 A:ARG99 4.4 25.2 1.0 CG1 A:ILE220 4.5 23.2 1.0 SG A:CYS71 4.6 26.4 1.0 N A:ILE88 4.7 31.1 1.0 SG A:CYS68 4.7 24.9 1.0 SG A:CYS76 4.7 25.0 1.0 CA A:GLY87 4.9 26.8 1.0 C A:GLY87 5.0 29.8 1.0

Iron binding site 9 out of 24 in the Half-Closed Codh/Acs in the As-Isolated 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 As-Isolated State within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe703 b:42.1 occ:1.00 FE3 A:SF4703 0.0 42.1 1.0 SG A:CYS76 2.2 25.0 1.0 S4 A:SF4703 2.3 21.9 1.0 S1 A:SF4703 2.3 24.6 1.0 S2 A:SF4703 2.3 19.5 1.0 FE4 A:SF4703 2.7 43.0 1.0 FE1 A:SF4703 2.7 37.0 1.0 FE2 A:SF4703 2.7 39.8 1.0 CB A:CYS76 3.2 29.8 1.0 S3 A:SF4703 3.9 23.4 1.0 N A:ILE88 4.2 31.1 1.0 N A:CYS76 4.4 30.4 1.0 CA A:CYS76 4.4 19.2 1.0 CA A:GLY74 4.4 19.0 1.0 SG A:CYS71 4.5 26.4 1.0 CB A:ILE88 4.6 21.1 1.0 N A:GLY74 4.6 25.5 1.0 CB A:CYS68 4.6 19.1 1.0 O A:CYS68 4.7 32.7 1.0 SG A:CYS89 4.8 30.7 1.0 CA A:GLY87 4.8 26.8 1.0 SG A:CYS68 4.8 24.9 1.0 N A:CYS89 4.9 22.0 1.0 C A:GLY87 4.9 29.8 1.0 CA A:ILE88 5.0 26.0 1.0 CG1 A:ILE88 5.0 27.9 1.0

Iron binding site 10 out of 24 in the Half-Closed Codh/Acs in the As-Isolated 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 As-Isolated State within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe703 b:43.0 occ:1.00 FE4 A:SF4703 0.0 43.0 1.0 SG A:CYS68 2.3 24.9 1.0 S3 A:SF4703 2.3 23.4 1.0 S2 A:SF4703 2.3 19.5 1.0 S1 A:SF4703 2.3 24.6 1.0 FE1 A:SF4703 2.7 37.0 1.0 FE3 A:SF4703 2.7 42.1 1.0 FE2 A:SF4703 2.7 39.8 1.0 CB A:CYS68 2.9 19.1 1.0 C A:CYS68 3.9 24.9 1.0 S4 A:SF4703 3.9 21.9 1.0 N A:PHE70 3.9 17.1 1.0 NH1 A:ARG99 4.0 25.2 1.0 CA A:CYS68 4.0 21.4 1.0 O A:CYS68 4.1 32.7 1.0 N A:ARG69 4.2 30.5 1.0 CB A:PHE70 4.5 25.6 1.0 CA A:PHE70 4.6 26.7 1.0 N A:CYS71 4.7 26.8 1.0 SG A:CYS76 4.7 25.0 1.0 CA A:ARG69 4.7 18.5 1.0 C A:ARG69 4.8 8.9 1.0 CB A:CYS76 4.8 29.8 1.0 SG A:CYS89 4.9 30.7 1.0 C A:PHE70 4.9 23.3 1.0 SG A:CYS71 5.0 26.4 1.0

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