Iron in PDB 7y9m: Crystal Structure of P450 BM3-2F From Bacillus Megaterium

All present enzymatic activity of Crystal Structure of P450 BM3-2F From Bacillus Megaterium:
1.14.14.1; 1.6.2.4;

The structure of Crystal Structure of P450 BM3-2F From Bacillus Megaterium, PDB code: 7y9m 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)	24.84 / 2.16
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	58.767, 146.357, 62.891, 90, 97.28, 90
R / Rfree (%)	17.3 / 21.5

The binding sites of Iron atom in the Crystal Structure of P450 BM3-2F From Bacillus Megaterium (pdb code 7y9m). 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, PDB code: 7y9m:
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


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 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe501 b:24.0 occ:1.00 FE A:HEM501 0.0 24.0 1.0 NB A:HEM501 2.0 28.1 1.0 ND A:HEM501 2.0 27.9 1.0 NC A:HEM501 2.0 27.9 1.0 NA A:HEM501 2.1 29.5 1.0 N3 A:IMD502 2.3 29.6 1.0 SG A:CYS400 2.4 25.1 1.0 C4 A:IMD502 3.0 27.7 1.0 C4B A:HEM501 3.0 27.5 1.0 C1C A:HEM501 3.0 25.1 1.0 C4D A:HEM501 3.0 25.5 1.0 C1A A:HEM501 3.1 29.6 1.0 C1B A:HEM501 3.1 29.3 1.0 C4C A:HEM501 3.1 24.9 1.0 C1D A:HEM501 3.1 24.3 1.0 C4A A:HEM501 3.1 28.2 1.0 CHC A:HEM501 3.3 24.8 1.0 CB A:CYS400 3.4 24.4 1.0 CHA A:HEM501 3.4 24.7 1.0 C2 A:IMD502 3.5 41.0 1.0 CHB A:HEM501 3.5 27.7 1.0 CHD A:HEM501 3.5 24.2 1.0 CA A:CYS400 4.1 26.9 1.0 C3B A:HEM501 4.2 26.3 1.0 C2C A:HEM501 4.2 30.2 1.0 C5 A:IMD502 4.2 35.0 1.0 C3D A:HEM501 4.3 26.7 1.0 C2B A:HEM501 4.3 31.8 1.0 C3C A:HEM501 4.3 27.4 1.0 C2A A:HEM501 4.3 27.9 1.0 C2D A:HEM501 4.3 28.5 1.0 C3A A:HEM501 4.3 27.3 1.0 N1 A:IMD502 4.5 37.1 1.0 C A:CYS400 4.9 25.8 1.0 N A:GLY402 4.9 26.1 1.0 O A:ALA264 4.9 28.8 1.0 N A:ILE401 5.0 26.4 1.0

Iron binding site 2 out of 2 in the Crystal Structure of P450 BM3-2F From Bacillus Megaterium


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 within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe501 b:24.0 occ:1.00 FE B:HEM501 0.0 24.0 1.0 ND B:HEM501 2.0 27.6 1.0 NC B:HEM501 2.0 27.1 1.0 NA B:HEM501 2.0 28.6 1.0 NB B:HEM501 2.1 24.5 1.0 N3 B:IMD502 2.4 34.0 1.0 SG B:CYS400 2.4 24.2 1.0 C1D B:HEM501 3.0 26.7 1.0 C4C B:HEM501 3.0 26.9 1.0 C4A B:HEM501 3.0 29.2 1.0 C4D B:HEM501 3.1 24.2 1.0 C1C B:HEM501 3.1 24.0 1.0 C1A B:HEM501 3.1 27.8 1.0 C4B B:HEM501 3.1 27.0 1.0 C1B B:HEM501 3.1 25.4 1.0 C2 B:IMD502 3.3 34.1 1.0 C4 B:IMD502 3.3 27.8 1.0 CHD B:HEM501 3.4 21.7 1.0 CB B:CYS400 3.4 27.5 1.0 CHB B:HEM501 3.4 26.0 1.0 CHA B:HEM501 3.4 25.7 1.0 CHC B:HEM501 3.5 28.2 1.0 CA B:CYS400 4.1 29.3 1.0 C2D B:HEM501 4.2 31.9 1.0 C3C B:HEM501 4.3 23.9 1.0 C2C B:HEM501 4.3 26.4 1.0 C3D B:HEM501 4.3 27.6 1.0 C3A B:HEM501 4.3 26.3 1.0 C2A B:HEM501 4.3 29.4 1.0 C3B B:HEM501 4.3 28.3 1.0 C2B B:HEM501 4.3 25.4 1.0 N1 B:IMD502 4.4 38.5 1.0 C5 B:IMD502 4.4 33.2 1.0 N B:GLY402 4.9 26.7 1.0 C B:CYS400 4.9 30.0 1.0 OG1 B:THR268 5.0 26.3 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 To Be Published.