Nickel in PDB 3qm4: Human Cytochrome P450 (Cyp) 2D6 - Prinomastat Complex

All present enzymatic activity of Human Cytochrome P450 (Cyp) 2D6 - Prinomastat Complex:
1.14.14.1;

The structure of Human Cytochrome P450 (Cyp) 2D6 - Prinomastat Complex, PDB code: 3qm4 was solved by A.Wang, C.D.Stout, E.F.Johnson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.00 / 2.85
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	194.540, 55.070, 145.870, 90.00, 134.97, 90.00
R / Rfree (%)	24.3 / 28.8

The structure of Human Cytochrome P450 (Cyp) 2D6 - Prinomastat Complex also contains other interesting chemical elements:

Iron

(Fe)

2 atoms

The binding sites of Nickel atom in the Human Cytochrome P450 (Cyp) 2D6 - Prinomastat Complex (pdb code 3qm4). This binding sites where shown within 5.0 Angstroms radius around Nickel atom.
In total only one binding site of Nickel was determined in the Human Cytochrome P450 (Cyp) 2D6 - Prinomastat Complex, PDB code: 3qm4:

Nickel binding site 1 out of 1 in the Human Cytochrome P450 (Cyp) 2D6 - Prinomastat Complex


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 1 of Human Cytochrome P450 (Cyp) 2D6 - Prinomastat Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Ni600 b:73.7 occ:1.00 OE1 B:GLU273 2.0 80.3 1.0 NE2 B:HIS258 2.1 61.1 1.0 OD1 B:ASP270 2.2 76.7 1.0 CD B:GLU273 2.7 79.7 1.0 CG B:GLU273 2.8 75.1 1.0 CE1 B:HIS258 2.8 62.2 1.0 CG B:ASP270 3.0 74.3 1.0 OD2 B:ASP270 3.2 74.1 1.0 CD2 B:HIS258 3.2 62.5 1.0 OE2 B:GLU273 3.9 82.7 1.0 ND1 B:HIS258 4.0 62.2 1.0 CB B:GLU273 4.2 69.2 1.0 CG B:HIS258 4.2 63.5 1.0 CB B:ASP270 4.3 73.0 1.0 CA B:GLY192 4.4 73.0 1.0 O B:CYS191 4.5 74.0 1.0 CB B:ARG269 4.7 79.0 1.0 NE B:ARG269 4.7 82.3 1.0 C B:CYS191 4.8 73.0 1.0 N B:GLY192 4.8 72.6 1.0 N B:GLU273 4.8 67.2 1.0 N B:ASP270 4.9 74.6 1.0 OG1 B:THR261 4.9 82.1 1.0 CA B:GLU273 5.0 68.2 1.0

A.Wang, U.Savas, M.H.Hsu, C.D.Stout, E.F.Johnson. Crystal Structure of Human Cytochrome P450 2D6 with Prinomastat Bound. J.Biol.Chem. V. 287 10834 2012.
ISSN: ISSN 0021-9258
PubMed: 22308038
DOI: 10.1074/JBC.M111.307918