Nickel 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:

Sodium	(Na)	1 atom
Iron	(Fe)	14 atoms

The binding sites of Nickel 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 Nickel atom.
In total 3 binding sites of Nickel where determined in the A268M Variant of the Codh/Acs Complex of C. Hydrogenoformans, PDB code: 8cjb:
Jump to Nickel binding site number: 1; 2; 3;

Nickel binding site 1 out of 3 in the A268M Variant of the Codh/Acs Complex of C. Hydrogenoformans


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni 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:Ni701 b:75.3 occ:0.52 NI A:RQM701 0.0 75.3 0.5 SG A:CYS546 2.0 50.4 0.6 O A:OH704 2.1 67.3 1.0 S1 A:RQM701 2.3 75.5 0.8 S4 A:RQM701 2.3 74.8 0.9 O A:HOH811 2.5 52.5 1.0 FE3 A:RQM701 2.5 75.9 0.6 FE2 A:RQM701 3.0 63.9 0.8 FE1 A:RQM701 3.2 79.5 0.6 CB A:CYS546 3.4 49.2 0.4 CB A:CYS546 3.5 49.2 0.6 FE4 A:RQM701 3.5 75.9 0.8 S2 A:RQM701 3.6 75.3 1.0 O A:OH705 3.8 57.0 1.0 S3 A:RQM701 3.8 76.2 0.7 SG A:CYS546 4.1 49.6 0.4 SG A:CYS316 4.4 54.5 1.0 SG A:CYS467 4.4 51.6 1.0 C A:GLY466 4.5 51.8 1.0 CA A:GLY466 4.5 50.1 1.0 O A:GLY466 4.6 52.6 1.0 CA A:CYS546 4.7 49.4 0.4 CA A:CYS546 4.7 49.4 0.6 OG A:SER581 4.8 46.4 1.0 N A:CYS467 4.9 53.4 1.0 N A:GLY466 5.0 50.5 1.0 NE2 A:HIS282 5.0 53.0 1.0

Nickel binding site 2 out of 3 in the A268M Variant of the Codh/Acs Complex of C. Hydrogenoformans


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni 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 B:Ni803 b:58.0 occ:1.00 N B:CYS600 1.9 48.7 1.0 N B:GLY599 2.0 48.9 1.0 SG B:CYS598 2.0 49.4 1.0 SG B:CYS600 2.3 50.8 1.0 C B:GLY599 2.8 48.0 1.0 CA B:GLY599 2.8 48.0 1.0 NI B:NI805 2.8 72.2 1.0 CA B:CYS600 2.9 49.0 1.0 CB B:CYS600 3.0 50.2 1.0 C B:CYS598 3.0 48.0 1.0 CB B:CYS598 3.1 49.7 1.0 CA B:CYS598 3.4 49.3 1.0 C B:CYS600 3.7 48.9 1.0 N B:CYS598 3.7 48.6 1.0 N B:PHE601 3.8 48.6 1.0 OXT B:ACT801 3.8 51.3 1.0 CD1 B:LEU530 3.9 47.0 1.0 O B:GLY599 4.0 48.0 1.0 O B:CYS598 4.1 48.0 1.0 O B:ACT801 4.3 51.3 1.0 C B:ACT801 4.3 51.3 1.0 CD1 B:PHE232 4.5 48.6 1.0 CB B:PHE601 4.5 47.4 1.0 CE1 B:PHE232 4.6 47.8 1.0 O B:CYS600 4.6 49.6 1.0 CA B:PHE601 4.8 48.5 1.0 SG B:CYS512 4.9 50.8 1.0 C B:SER597 4.9 48.1 1.0 CD1 B:PHE601 4.9 47.5 1.0 S3 B:SF4804 5.0 50.5 1.0

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


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni 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 B:Ni805 b:72.2 occ:1.00 OXT B:ACT801 2.2 51.3 1.0 SG B:CYS598 2.3 49.4 1.0 SG B:CYS512 2.3 50.8 1.0 SG B:CYS600 2.3 50.8 1.0 O B:ACT801 2.5 51.3 1.0 C B:ACT801 2.6 51.3 1.0 NI B:NI803 2.8 58.0 1.0 CB B:CYS512 3.2 51.0 1.0 CB B:CYS600 3.3 50.2 1.0 CB B:CYS598 3.4 49.7 1.0 FE1 B:SF4804 3.8 52.2 1.0 N B:CYS600 4.1 48.7 1.0 CH3 B:ACT801 4.2 51.3 1.0 S3 B:SF4804 4.3 50.5 1.0 N B:GLY599 4.3 48.9 1.0 CA B:CYS600 4.4 49.0 1.0 CA B:CYS512 4.4 52.1 1.0 CD1 B:ILE149 4.5 53.7 1.0 CA B:CYS598 4.6 49.3 1.0 CG1 B:VAL152 4.7 52.3 1.0 C B:CYS598 4.8 48.0 1.0 CD1 B:PHE232 4.9 48.6 1.0

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