Iron 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:

Nickel

(Ni)

2 atoms

The binding sites of Iron 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 Iron atom.
In total 2 binding sites of Iron 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 Iron binding site number: 1; 2;

Iron 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 Iron with other atoms in the Fe 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:Fe1002 b:19.4 occ:1.00 FE A:HEM1002 0.0 19.4 1.0 NA A:HEM1002 2.0 20.4 1.0 NB A:HEM1002 2.0 19.1 1.0 ND A:HEM1002 2.0 19.5 1.0 NC A:HEM1002 2.0 20.4 1.0 SG A:CYS400 2.3 19.7 1.0 NAA A:6VP1001 2.4 24.7 1.0 C1C A:HEM1002 3.0 22.1 1.0 C4B A:HEM1002 3.0 20.9 1.0 C1A A:HEM1002 3.0 22.1 1.0 C1B A:HEM1002 3.1 21.2 1.0 C4C A:HEM1002 3.1 21.9 1.0 CAE A:6VP1001 3.1 36.5 1.0 C4D A:HEM1002 3.1 22.2 1.0 C1D A:HEM1002 3.1 19.8 1.0 C4A A:HEM1002 3.1 22.1 1.0 CB A:CYS400 3.3 18.9 1.0 CHC A:HEM1002 3.4 21.9 1.0 CHA A:HEM1002 3.4 21.6 1.0 CHD A:HEM1002 3.5 22.1 1.0 CHB A:HEM1002 3.5 22.5 1.0 CA A:CYS400 4.1 20.6 1.0 C3C A:HEM1002 4.2 21.1 1.0 C2C A:HEM1002 4.2 19.6 1.0 C2B A:HEM1002 4.3 18.4 1.0 C3B A:HEM1002 4.3 19.0 1.0 C2A A:HEM1002 4.3 21.4 1.0 C3A A:HEM1002 4.3 19.7 1.0 C2D A:HEM1002 4.3 20.8 1.0 C3D A:HEM1002 4.3 21.5 1.0 CAJ A:6VP1001 4.4 36.2 1.0 OAB A:6VP1001 4.5 44.4 1.0 C A:CYS400 4.9 19.9 1.0 O A:ALA264 4.9 23.3 1.0 N A:GLY402 5.0 20.6 1.0

Iron 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 Iron with other atoms in the Fe 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:Fe1002 b:17.1 occ:1.00 FE B:HEM1002 0.0 17.1 1.0 NC B:HEM1002 2.0 20.5 1.0 NA B:HEM1002 2.0 19.2 1.0 NB B:HEM1002 2.0 21.9 1.0 ND B:HEM1002 2.1 19.9 1.0 NAA B:6VP1001 2.3 25.5 1.0 SG B:CYS400 2.3 18.3 1.0 C1B B:HEM1002 3.0 21.6 1.0 C4C B:HEM1002 3.0 19.9 1.0 C4A B:HEM1002 3.0 18.4 1.0 C1C B:HEM1002 3.0 20.6 1.0 C4D B:HEM1002 3.1 20.8 1.0 C1A B:HEM1002 3.1 20.8 1.0 C1D B:HEM1002 3.1 23.0 1.0 C4B B:HEM1002 3.1 19.9 1.0 CAE B:6VP1001 3.2 39.3 1.0 CB B:CYS400 3.3 20.1 1.0 CHB B:HEM1002 3.4 21.4 1.0 CHD B:HEM1002 3.4 22.2 1.0 CHA B:HEM1002 3.4 23.6 1.0 CHC B:HEM1002 3.5 19.6 1.0 CA B:CYS400 4.1 22.3 1.0 C2B B:HEM1002 4.2 20.6 1.0 C3C B:HEM1002 4.2 21.3 1.0 C2C B:HEM1002 4.2 21.0 1.0 C2A B:HEM1002 4.3 20.6 1.0 C3D B:HEM1002 4.3 18.6 1.0 C3A B:HEM1002 4.3 21.0 1.0 C2D B:HEM1002 4.3 18.8 1.0 C3B B:HEM1002 4.3 18.5 1.0 OAB B:6VP1001 4.6 51.3 1.0 CAJ B:6VP1001 4.6 39.6 1.0 C B:CYS400 4.9 19.0 1.0 N B:GLY402 4.9 22.8 1.0 O B:ALA264 4.9 24.1 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.