Iron in PDB 8cjb: A268M Variant of the Codh/Acs Complex of C. Hydrogenoformans

All present enzymatic activity of A268M Variant of the Codh/Acs Complex of C. Hydrogenoformans:
1.2.7.4; 2.3.1.169;

The structure of A268M Variant of the Codh/Acs Complex of C. Hydrogenoformans, PDB code: 8cjb was solved by J.Ruickoldt, J.Jeoung, F.Lennartz, H.Dobbek, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.02 / 2.50
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	142.115, 142.115, 290.244, 90, 90, 120
R / Rfree (%)	20.6 / 23.5

The structure of A268M Variant of the Codh/Acs Complex of C. Hydrogenoformans also contains other interesting chemical elements:

Nickel	(Ni)	3 atoms
Sodium	(Na)	1 atom

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 14;

Binding sites:

The binding sites of Iron atom in the A268M Variant of the Codh/Acs Complex of C. Hydrogenoformans (pdb code 8cjb). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 14 binding sites of Iron where determined in the A268M Variant of the Codh/Acs Complex of C. Hydrogenoformans, PDB code: 8cjb:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iron binding site 1 out of 14 in the A268M Variant of the Codh/Acs Complex of C. Hydrogenoformans


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of A268M Variant of the Codh/Acs Complex of C. Hydrogenoformans within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe701 b:79.5 occ:0.58 FE1 A:RQM701 0.0 79.5 0.6 SG A:CYS354 2.2 56.2 1.0 S2 A:RQM701 2.2 75.3 1.0 S3 A:RQM701 2.2 76.2 0.7 S4 A:RQM701 2.3 74.8 0.9 O A:HOH811 2.5 52.5 1.0 FE2 A:RQM701 2.9 63.9 0.8 CB A:CYS354 3.1 55.7 1.0 FE4 A:RQM701 3.1 75.9 0.8 FE3 A:RQM701 3.2 75.9 0.6 NI A:RQM701 3.2 75.3 0.5 CE1 A:HIS282 3.7 52.6 1.0 NE2 A:HIS282 3.8 53.0 1.0 S1 A:RQM701 3.8 75.5 0.8 O A:OH705 4.3 57.0 1.0 CE A:LYS583 4.3 48.7 1.0 NZ A:LYS583 4.4 50.5 1.0 SG A:CYS546 4.6 50.4 0.6 CA A:CYS354 4.6 56.1 1.0 OG A:SER581 4.7 46.4 1.0 CE A:MET580 4.9 50.3 1.0 SG A:CYS467 4.9 51.6 1.0 O A:OH704 5.0 67.3 1.0

Iron binding site 2 out of 14 in the A268M Variant of the Codh/Acs Complex of C. Hydrogenoformans


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of A268M Variant of the Codh/Acs Complex of C. Hydrogenoformans within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe701 b:63.9 occ:0.76 FE2 A:RQM701 0.0 63.9 0.8 O A:OH705 1.9 57.0 1.0 NE2 A:HIS282 2.2 53.0 1.0 O A:HOH811 2.2 52.5 1.0 SG A:CYS316 2.3 54.5 1.0 S3 A:RQM701 2.3 76.2 0.7 SG A:CYS546 2.9 50.4 0.6 FE1 A:RQM701 2.9 79.5 0.6 NI A:RQM701 3.0 75.3 0.5 CE1 A:HIS282 3.1 52.6 1.0 SG A:CYS546 3.1 49.6 0.4 CB A:CYS316 3.2 54.3 1.0 CD2 A:HIS282 3.2 52.3 1.0 CB A:CYS546 3.5 49.2 0.4 CB A:CYS546 3.6 49.2 0.6 FE4 A:RQM701 3.7 75.9 0.8 S4 A:RQM701 4.0 74.8 0.9 ND1 A:HIS282 4.2 52.6 1.0 S1 A:RQM701 4.2 75.5 0.8 NZ A:LYS583 4.2 50.5 1.0 CG A:HIS282 4.3 52.7 1.0 CA A:CYS316 4.4 55.4 1.0 S2 A:RQM701 4.4 75.3 1.0 N A:CYS316 4.4 55.7 1.0 N A:CYS546 4.6 50.9 0.4 N A:CYS546 4.6 50.9 0.6 CE A:LYS583 4.6 48.7 1.0 SG A:CYS354 4.7 56.2 1.0 CA A:CYS546 4.7 49.4 0.4 CA A:CYS546 4.7 49.4 0.6 FE3 A:RQM701 4.8 75.9 0.6 O A:OH704 4.9 67.3 1.0

Iron binding site 3 out of 14 in the A268M Variant of the Codh/Acs Complex of C. Hydrogenoformans


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of A268M Variant of the Codh/Acs Complex of C. Hydrogenoformans within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe701 b:75.9 occ:0.56 FE3 A:RQM701 0.0 75.9 0.6 S1 A:RQM701 2.1 75.5 0.8 S2 A:RQM701 2.2 75.3 1.0 S4 A:RQM701 2.2 74.8 0.9 SG A:CYS467 2.4 51.6 1.0 NI A:RQM701 2.5 75.3 0.5 CA A:CYS467 3.0 54.4 1.0 CB A:CYS467 3.0 53.8 1.0 FE1 A:RQM701 3.2 79.5 0.6 FE4 A:RQM701 3.3 75.9 0.8 N A:CYS467 3.4 53.4 1.0 O A:OH704 3.4 67.3 1.0 C A:GLY466 3.6 51.8 1.0 O A:GLY466 3.9 52.6 1.0 O A:HOH811 4.1 52.5 1.0 OG A:SER581 4.2 46.4 1.0 CA A:GLY466 4.2 50.1 1.0 S3 A:RQM701 4.3 76.2 0.7 C A:CYS467 4.3 55.1 1.0 CE A:MET580 4.4 50.3 1.0 SG A:CYS546 4.4 50.4 0.6 SG A:CYS497 4.5 55.0 1.0 SG A:CYS354 4.6 56.2 1.0 CB A:CYS497 4.7 53.5 1.0 FE2 A:RQM701 4.8 63.9 0.8 N A:ASN468 4.8 53.7 1.0 CB A:SER581 5.0 46.5 1.0

Iron binding site 4 out of 14 in the A268M Variant of the Codh/Acs Complex of C. Hydrogenoformans


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of A268M Variant of the Codh/Acs Complex of C. Hydrogenoformans within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe701 b:75.9 occ:0.84 FE4 A:RQM701 0.0 75.9 0.8 SG A:CYS497 2.1 55.0 1.0 S2 A:RQM701 2.2 75.3 1.0 S3 A:RQM701 2.2 76.2 0.7 S1 A:RQM701 2.3 75.5 0.8 FE1 A:RQM701 3.1 79.5 0.6 FE3 A:RQM701 3.3 75.9 0.6 CB A:CYS497 3.4 53.5 1.0 NI A:RQM701 3.5 75.3 0.5 FE2 A:RQM701 3.7 63.9 0.8 N A:CYS497 3.9 52.9 1.0 CA A:CYS497 4.1 54.0 1.0 SG A:CYS315 4.2 56.1 0.8 CB A:CYS315 4.3 56.1 0.2 CB A:CYS315 4.3 56.1 0.8 S4 A:RQM701 4.3 74.8 0.9 SG A:CYS546 4.4 50.4 0.6 SG A:CYS316 4.4 54.5 1.0 CB A:PHE333 4.4 55.6 1.0 O A:HOH811 4.6 52.5 1.0 CA A:CYS315 4.7 56.2 0.8 CA A:CYS315 4.7 56.2 0.2 C A:GLY496 4.7 51.7 1.0 O A:GLY466 4.8 52.6 1.0 N A:CYS316 4.9 55.7 1.0 CA A:GLY496 5.0 50.7 1.0 CA A:CYS467 5.0 54.4 1.0

Iron binding site 5 out of 14 in the A268M Variant of the Codh/Acs Complex of C. Hydrogenoformans


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of A268M Variant of the Codh/Acs Complex of C. Hydrogenoformans within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe702 b:44.9 occ:1.00 FE1 A:FES702 0.0 44.9 1.0 SG A:CYS59 2.1 47.6 1.0 S2 A:FES702 2.2 43.9 1.0 S1 A:FES702 2.3 43.9 1.0 FE2 A:FES702 2.6 44.0 1.0 CB A:CYS59 3.2 47.4 1.0 N A:GLY62 4.3 45.4 1.0 CB A:PHE61 4.4 46.7 1.0 SG A:CYS67 4.5 44.5 1.0 CA A:CYS59 4.6 48.1 1.0 CB A:CYS67 4.8 44.3 1.0 CA A:GLY62 4.9 44.9 1.0

Iron binding site 6 out of 14 in the A268M Variant of the Codh/Acs Complex of C. Hydrogenoformans


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of A268M Variant of the Codh/Acs Complex of C. Hydrogenoformans within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe702 b:44.0 occ:1.00 FE2 A:FES702 0.0 44.0 1.0 SG A:CYS67 2.1 44.5 1.0 S2 A:FES702 2.2 43.9 1.0 S1 A:FES702 2.3 43.9 1.0 FE1 A:FES702 2.6 44.9 1.0 CB A:CYS67 3.0 44.3 1.0 CA A:CYS67 4.4 44.4 1.0 SG A:CYS59 4.5 47.6 1.0 CD A:ARG69 4.9 43.8 1.0 N A:GLY62 5.0 45.4 1.0

Iron binding site 7 out of 14 in the A268M Variant of the Codh/Acs Complex of C. Hydrogenoformans


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of A268M Variant of the Codh/Acs Complex of C. Hydrogenoformans within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe703 b:43.1 occ:1.00 FE1 A:SF4703 0.0 43.1 1.0 SG A:CYS71 2.2 44.1 1.0 S3 A:SF4703 2.2 42.9 1.0 S2 A:SF4703 2.2 42.5 1.0 S4 A:SF4703 2.3 43.0 1.0 FE4 A:SF4703 2.7 43.5 1.0 FE2 A:SF4703 2.7 44.3 1.0 FE3 A:SF4703 2.7 45.2 1.0 CB A:CYS71 3.3 43.1 1.0 N A:CYS71 3.7 42.8 1.0 CD1 A:ILE220 3.8 48.2 1.0 S1 A:SF4703 3.8 43.8 1.0 CA A:CYS71 4.0 43.0 1.0 C A:PHE70 4.2 42.3 1.0 C A:CYS71 4.4 43.3 1.0 CB A:CYS89 4.4 51.1 1.0 O A:CYS71 4.4 43.6 1.0 CG1 A:ILE220 4.6 47.8 1.0 CB A:GLN73 4.6 48.4 1.0 N A:PHE70 4.6 42.9 1.0 N A:GLY74 4.7 46.2 1.0 SG A:CYS89 4.7 50.2 1.0 O A:PHE70 4.7 42.0 1.0 SG A:CYS68 4.8 42.0 1.0 SG A:CYS76 4.8 44.6 1.0 CA A:PHE70 4.9 42.4 1.0 CB A:ILE220 4.9 46.2 1.0 N A:GLN73 5.0 47.4 1.0

Iron binding site 8 out of 14 in the A268M Variant of the Codh/Acs Complex of C. Hydrogenoformans


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of A268M Variant of the Codh/Acs Complex of C. Hydrogenoformans within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe703 b:44.3 occ:1.00 FE2 A:SF4703 0.0 44.3 1.0 CB A:CYS89 2.1 51.1 1.0 S1 A:SF4703 2.3 43.8 1.0 S3 A:SF4703 2.3 42.9 1.0 S4 A:SF4703 2.3 43.0 1.0 SG A:CYS89 2.5 50.2 1.0 FE4 A:SF4703 2.7 43.5 1.0 FE3 A:SF4703 2.7 45.2 1.0 FE1 A:SF4703 2.7 43.1 1.0 CA A:CYS89 3.5 51.8 1.0 N A:CYS89 3.6 51.5 1.0 S2 A:SF4703 3.8 42.5 1.0 CD1 A:ILE220 4.2 48.2 1.0 O A:HOH843 4.3 53.0 1.0 CB A:ALA91 4.3 49.4 1.0 SG A:CYS71 4.6 44.1 1.0 SG A:CYS68 4.6 42.0 1.0 CG1 A:ILE220 4.6 47.8 1.0 NH1 A:ARG99 4.7 45.2 1.0 C A:CYS89 4.7 53.0 1.0 N A:ILE88 4.7 50.8 1.0 SG A:CYS76 4.8 44.6 1.0 C A:ILE88 4.8 51.3 1.0 C A:GLY87 4.9 52.0 1.0 CA A:GLY87 4.9 51.3 1.0 N A:ALA91 5.0 50.5 1.0

Iron binding site 9 out of 14 in the A268M Variant of the Codh/Acs Complex of C. Hydrogenoformans


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 9 of A268M Variant of the Codh/Acs Complex of C. Hydrogenoformans within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe703 b:45.2 occ:1.00 FE3 A:SF4703 0.0 45.2 1.0 S4 A:SF4703 2.2 43.0 1.0 S1 A:SF4703 2.2 43.8 1.0 SG A:CYS76 2.3 44.6 1.0 S2 A:SF4703 2.3 42.5 1.0 FE4 A:SF4703 2.7 43.5 1.0 FE2 A:SF4703 2.7 44.3 1.0 FE1 A:SF4703 2.7 43.1 1.0 CB A:CYS76 3.1 44.6 1.0 S3 A:SF4703 3.8 42.9 1.0 N A:ILE88 4.1 50.8 1.0 CB A:CYS89 4.2 51.1 1.0 CA A:CYS76 4.3 44.7 1.0 N A:CYS76 4.3 43.9 1.0 N A:CYS89 4.4 51.5 1.0 CA A:GLY74 4.5 46.6 1.0 SG A:CYS68 4.5 42.0 1.0 CA A:GLY87 4.6 51.3 1.0 SG A:CYS71 4.6 44.1 1.0 CD1 A:ILE88 4.6 50.5 1.0 CB A:CYS68 4.7 42.6 1.0 O A:CYS68 4.7 43.0 1.0 CB A:ILE88 4.7 51.0 1.0 C A:GLY87 4.7 52.0 1.0 N A:GLY74 4.7 46.2 1.0 CA A:ILE88 4.9 51.6 1.0

Iron binding site 10 out of 14 in the A268M Variant of the Codh/Acs Complex of C. Hydrogenoformans


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 10 of A268M Variant of the Codh/Acs Complex of C. Hydrogenoformans within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe703 b:43.5 occ:1.00 FE4 A:SF4703 0.0 43.5 1.0 S2 A:SF4703 2.2 42.5 1.0 SG A:CYS68 2.2 42.0 1.0 S1 A:SF4703 2.2 43.8 1.0 S3 A:SF4703 2.3 42.9 1.0 FE1 A:SF4703 2.7 43.1 1.0 FE3 A:SF4703 2.7 45.2 1.0 FE2 A:SF4703 2.7 44.3 1.0 CB A:CYS68 3.2 42.6 1.0 S4 A:SF4703 3.8 43.0 1.0 N A:PHE70 3.8 42.9 1.0 NH1 A:ARG99 4.0 45.2 1.0 C A:CYS68 4.1 42.7 1.0 CB A:PHE70 4.2 42.5 1.0 O A:CYS68 4.2 43.0 1.0 CA A:CYS68 4.3 42.5 1.0 CA A:PHE70 4.4 42.4 1.0 N A:ARG69 4.5 43.1 1.0 C A:PHE70 4.6 42.3 1.0 N A:CYS71 4.6 42.8 1.0 SG A:CYS76 4.7 44.6 1.0 CB A:CYS76 4.7 44.6 1.0 SG A:CYS71 4.8 44.1 1.0 CB A:CYS89 4.8 51.1 1.0 C A:ARG69 4.8 43.2 1.0 SG A:CYS89 4.8 50.2 1.0 CA A:ARG69 5.0 42.9 1.0

J.Ruickoldt, J.Jeoung, F.Lennartz, H.Dobbek. A225L Variant of the Codh/Acs Complex of C. Hydrogenoformans To Be Published.