Nickel in PDB 8cmw: A225L Variant of the Codh/Acs Complex of C. Hydrogenoformans

All present enzymatic activity of A225L Variant of the Codh/Acs Complex of C. Hydrogenoformans:
1.2.5.3; 2.3.1.169;

The structure of A225L Variant of the Codh/Acs Complex of C. Hydrogenoformans, PDB code: 8cmw 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)	22.94 / 2.60
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	141.72, 141.72, 290.263, 90, 90, 120
R / Rfree (%)	20.3 / 26.4

The structure of A225L 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 A225L Variant of the Codh/Acs Complex of C. Hydrogenoformans (pdb code 8cmw). This binding sites where shown within 5.0 Angstroms radius around Nickel atom.
In total 3 binding sites of Nickel where determined in the A225L Variant of the Codh/Acs Complex of C. Hydrogenoformans, PDB code: 8cmw:
Jump to Nickel binding site number: 1; 2; 3;

Nickel binding site 1 out of 3 in the A225L 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 A225L Variant of the Codh/Acs Complex of C. Hydrogenoformans within 5.0Å range: probe atom residue distance (Å) B Occ A:Ni701 b:46.3 occ:0.51 NI A:RQM701 0.0 46.3 0.5 SG A:CYS546 2.0 45.6 0.3 CB D:CYS1 2.0 45.7 0.4 CB A:CYS546 2.0 45.7 0.3 O A:OH704 2.0 46.5 1.0 CB A:CYS546 2.1 45.6 0.3 S4 A:RQM701 2.3 46.2 0.8 FE2 A:RQM701 2.4 38.2 1.0 S1 A:RQM701 2.5 48.9 0.8 O A:DOD805 2.7 43.1 0.4 SG D:CYS1 2.7 47.1 0.4 SG A:CYS546 2.7 42.6 0.3 FE3 A:RQM701 3.3 40.6 0.8 SG A:CYS316 3.3 43.2 1.0 CA D:CYS1 3.4 46.6 0.4 CA A:CYS546 3.4 46.7 0.3 CA A:CYS546 3.6 47.1 0.3 FE1 A:RQM701 3.9 45.3 0.6 S3 A:RQM701 4.0 49.9 0.9 FE4 A:RQM701 4.0 47.4 1.0 N D:CYS1 4.0 48.9 0.4 N A:CYS546 4.0 48.1 0.3 N A:CYS546 4.1 46.0 0.3 NE2 A:HIS282 4.3 51.3 1.0 CE A:LYS583 4.4 55.1 1.0 C D:CYS1 4.5 47.5 0.4 C A:CYS546 4.5 47.4 0.3 C A:CYS546 4.6 47.5 0.3 CA A:GLY496 4.8 41.2 1.0 CB A:CYS316 5.0 44.7 1.0

Nickel binding site 2 out of 3 in the A225L 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 A225L Variant of the Codh/Acs Complex of C. Hydrogenoformans within 5.0Å range: probe atom residue distance (Å) B Occ B:Ni804 b:24.9 occ:1.00 N B:GLY599 1.9 42.6 1.0 SG B:CYS598 1.9 35.3 1.0 N B:CYS600 1.9 46.0 1.0 SG B:CYS600 2.2 35.5 1.0 C B:GLY599 2.7 52.1 1.0 CA B:GLY599 2.7 53.2 1.0 C B:CYS598 2.9 48.4 1.0 CA B:CYS600 2.9 43.5 1.0 NI B:NI806 2.9 28.1 1.0 CB B:CYS598 3.0 46.0 1.0 CB B:CYS600 3.0 47.2 1.0 CA B:CYS598 3.2 45.3 1.0 N B:CYS598 3.5 36.9 1.0 C B:CYS600 3.7 40.3 1.0 N B:PHE601 3.8 38.8 1.0 O B:ACT801 3.8 41.9 1.0 CD1 B:LEU530 3.8 42.9 1.0 O B:GLY599 3.9 41.0 1.0 O B:CYS598 4.0 41.5 1.0 OXT B:ACT801 4.0 44.5 1.0 C B:ACT801 4.1 44.1 1.0 CD1 B:PHE601 4.4 50.2 1.0 CD1 B:PHE232 4.6 37.6 1.0 O B:CYS600 4.6 39.2 1.0 C B:SER597 4.7 39.3 1.0 CE1 B:PHE232 4.8 41.3 1.0 CA B:PHE601 4.9 43.2 1.0 CG B:PHE601 4.9 39.8 1.0 S3 B:SF4805 4.9 32.2 1.0 CB B:PHE601 4.9 38.8 1.0 SG B:CYS512 4.9 39.5 1.0 CE1 B:PHE601 5.0 51.1 1.0

Nickel binding site 3 out of 3 in the A225L 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 A225L Variant of the Codh/Acs Complex of C. Hydrogenoformans within 5.0Å range: probe atom residue distance (Å) B Occ B:Ni806 b:28.1 occ:1.00 OXT B:ACT801 2.0 44.5 1.0 SG B:CYS600 2.0 35.5 1.0 SG B:CYS598 2.1 35.3 1.0 O B:ACT801 2.1 41.9 1.0 C B:ACT801 2.2 44.1 1.0 SG B:CYS512 2.3 39.5 1.0 NI B:NI804 2.9 24.9 1.0 CB B:CYS600 3.1 47.2 1.0 CB B:CYS512 3.2 43.2 1.0 CB B:CYS598 3.3 46.0 1.0 CH3 B:ACT801 3.8 46.8 1.0 FE1 B:SF4805 3.9 28.1 1.0 N B:CYS600 3.9 46.0 1.0 CA B:CYS600 4.2 43.5 1.0 CD1 B:ILE149 4.2 43.8 1.0 N B:GLY599 4.3 42.6 1.0 S3 B:SF4805 4.3 32.2 1.0 CG1 B:VAL152 4.3 44.4 1.0 CA B:CYS512 4.5 45.6 1.0 CA B:CYS598 4.6 45.3 1.0 C B:CYS598 4.8 48.4 1.0 CD1 B:PHE232 5.0 37.6 1.0 C B:GLY599 5.0 52.1 1.0

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