Nickel in PDB 7y9l: Crystal Structure of P450 BM3-2F From Bacillus Megaterium in Complex with 2-Hydroxy-5-Nitrobenzonitrile

All present enzymatic activity of Crystal Structure of P450 BM3-2F From Bacillus Megaterium in Complex with 2-Hydroxy-5-Nitrobenzonitrile:
1.14.14.1; 1.6.2.4;

The structure of Crystal Structure of P450 BM3-2F From Bacillus Megaterium in Complex with 2-Hydroxy-5-Nitrobenzonitrile, PDB code: 7y9l was solved by Q.Wang, L.L.Zhang, W.D.Liu, J.-W.Huang, Y.Yang, C.-C.Chen, R.-T.Guo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.78 / 1.76
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	59.014, 146.956, 63.271, 90, 98.07, 90
R / Rfree (%)	17.3 / 20.3

The structure of Crystal Structure of P450 BM3-2F From Bacillus Megaterium in Complex with 2-Hydroxy-5-Nitrobenzonitrile also contains other interesting chemical elements:

Iron

(Fe)

2 atoms

The binding sites of Nickel atom in the Crystal Structure of P450 BM3-2F From Bacillus Megaterium in Complex with 2-Hydroxy-5-Nitrobenzonitrile (pdb code 7y9l). This binding sites where shown within 5.0 Angstroms radius around Nickel atom.
In total 2 binding sites of Nickel where determined in the Crystal Structure of P450 BM3-2F From Bacillus Megaterium in Complex with 2-Hydroxy-5-Nitrobenzonitrile, PDB code: 7y9l:
Jump to Nickel binding site number: 1; 2;

Nickel binding site 1 out of 2 in the Crystal Structure of P450 BM3-2F From Bacillus Megaterium in Complex with 2-Hydroxy-5-Nitrobenzonitrile


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 1 of Crystal Structure of P450 BM3-2F From Bacillus Megaterium in Complex with 2-Hydroxy-5-Nitrobenzonitrile within 5.0Å range: probe atom residue distance (Å) B Occ A:Ni1003 b:85.4 occ:1.00 O A:HOH1103 2.0 54.9 1.0 NE2 A:HIS236 2.3 60.3 1.0 O A:HOH1349 2.4 30.0 1.0 O A:HOH1131 2.4 53.9 1.0 CE1 A:HIS236 2.5 59.0 1.0 OD2 A:ASP231 2.8 64.4 1.0 OD1 A:ASP231 3.2 66.0 1.0 CG A:ASP231 3.4 62.0 1.0 CD2 A:HIS236 3.6 47.6 1.0 ND1 A:HIS236 3.8 49.5 1.0 CG A:HIS236 4.3 43.0 1.0 CB A:ASP231 4.9 52.8 1.0 O A:HOH1400 4.9 51.0 1.0

Nickel binding site 2 out of 2 in the Crystal Structure of P450 BM3-2F From Bacillus Megaterium in Complex with 2-Hydroxy-5-Nitrobenzonitrile


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 2 of Crystal Structure of P450 BM3-2F From Bacillus Megaterium in Complex with 2-Hydroxy-5-Nitrobenzonitrile within 5.0Å range: probe atom residue distance (Å) B Occ B:Ni1003 b:30.0 occ:1.00 O B:HOH1237 2.0 30.0 1.0 O B:HOH1398 2.2 30.0 1.0 NE2 B:HIS236 2.3 56.6 1.0 O B:HOH1146 2.4 30.0 1.0 CE1 B:HIS236 2.9 49.2 1.0 OD2 B:ASP231 3.2 70.7 1.0 OD1 B:ASP231 3.5 72.5 1.0 CD2 B:HIS236 3.5 51.5 1.0 CG B:ASP231 3.7 65.6 1.0 ND1 B:HIS236 4.1 47.4 1.0 CG B:HIS236 4.5 42.2 1.0

Q.Wang, L.L.Zhang, W.D.Liu, J.-W.Huang, Y.Yang, C.-C.Chen, R.-T.Guo. Crystal Structure of P450 BM3-2F From Bacillus Megaterium in Complex with 2-Hydroxy-5-Nitrobenzonitrile To Be Published.