Iron in PDB 7y9k: Crystal Structure of P450 BM3-Tmk From Bacillus Megaterium

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

The structure of Crystal Structure of P450 BM3-Tmk From Bacillus Megaterium, PDB code: 7y9k 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)	24.93 / 2.23
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	58.646, 147.961, 64.003, 90, 98.48, 90
R / Rfree (%)	17.1 / 20.8

The binding sites of Iron atom in the Crystal Structure of P450 BM3-Tmk From Bacillus Megaterium (pdb code 7y9k). 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-Tmk From Bacillus Megaterium, PDB code: 7y9k:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of P450 BM3-Tmk 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-Tmk From Bacillus Megaterium within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe501 b:29.5 occ:1.00 FE A:HEM501 0.0 29.5 1.0 NC A:HEM501 2.0 25.9 1.0 ND A:HEM501 2.1 26.4 1.0 NA A:HEM501 2.1 26.2 1.0 NB A:HEM501 2.1 25.9 1.0 SG A:CYS401 2.2 27.9 1.0 C4C A:HEM501 3.0 27.1 1.0 C1D A:HEM501 3.1 24.1 1.0 C1C A:HEM501 3.1 26.9 1.0 C1B A:HEM501 3.1 22.9 1.0 C4A A:HEM501 3.1 24.8 1.0 C4D A:HEM501 3.1 23.9 1.0 C1A A:HEM501 3.1 25.6 1.0 C4B A:HEM501 3.1 27.2 1.0 CB A:CYS401 3.2 24.8 1.0 CHD A:HEM501 3.4 25.0 1.0 CHB A:HEM501 3.4 23.6 1.0 CHC A:HEM501 3.5 26.1 1.0 CHA A:HEM501 3.5 23.4 1.0 CA A:CYS401 4.0 24.9 1.0 C3C A:HEM501 4.2 28.9 1.0 C2C A:HEM501 4.2 26.9 1.0 C2D A:HEM501 4.3 25.9 1.0 C2B A:HEM501 4.3 24.8 1.0 C3D A:HEM501 4.3 24.3 1.0 O A:ALA265 4.3 30.6 1.0 C3A A:HEM501 4.3 26.2 1.0 C2A A:HEM501 4.3 26.4 1.0 C3B A:HEM501 4.3 24.4 1.0 CB A:ALA265 4.7 26.9 1.0 N A:GLY403 4.8 26.7 1.0 C A:CYS401 4.8 27.5 1.0 C A:ALA265 4.9 31.4 1.0 N A:ILE402 4.9 26.0 1.0

Iron binding site 2 out of 2 in the Crystal Structure of P450 BM3-Tmk 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-Tmk From Bacillus Megaterium within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe501 b:23.3 occ:1.00 FE B:HEM501 0.0 23.3 1.0 NA B:HEM501 2.1 26.0 1.0 ND B:HEM501 2.1 27.6 1.0 NC B:HEM501 2.1 27.4 1.0 NB B:HEM501 2.1 24.5 1.0 SG B:CYS401 2.3 26.5 1.0 O B:HOH732 2.7 39.1 1.0 C4D B:HEM501 3.1 26.4 1.0 C1D B:HEM501 3.1 27.0 1.0 C4A B:HEM501 3.1 27.4 1.0 C1A B:HEM501 3.1 26.8 1.0 C1C B:HEM501 3.1 27.9 1.0 C4C B:HEM501 3.1 29.1 1.0 C1B B:HEM501 3.1 27.9 1.0 C4B B:HEM501 3.2 28.6 1.0 CB B:CYS401 3.3 25.3 1.0 CHA B:HEM501 3.4 27.1 1.0 CHD B:HEM501 3.4 24.5 1.0 CHB B:HEM501 3.4 27.1 1.0 CHC B:HEM501 3.5 26.2 1.0 CA B:CYS401 4.0 27.8 1.0 C2C B:HEM501 4.3 28.3 1.0 C3D B:HEM501 4.3 28.2 1.0 C2D B:HEM501 4.3 28.8 1.0 C3A B:HEM501 4.3 27.1 1.0 C3C B:HEM501 4.3 29.4 1.0 C2A B:HEM501 4.3 25.8 1.0 O B:ALA265 4.3 28.2 1.0 C2B B:HEM501 4.3 26.7 1.0 C3B B:HEM501 4.4 26.4 1.0 CB B:ALA265 4.5 25.7 1.0 C B:CYS401 4.8 26.2 1.0 C B:ALA265 4.9 29.7 1.0 N B:GLY403 4.9 26.4 1.0 N B:ILE402 4.9 25.6 1.0

A.Li, Q.Wang, X.Song, X.Zhang, J.W.Huang, C.C.Chen, R.T.Guo, B.Wang, M.T.Reetz. Engineering of A P450-Based Kemp Eliminase with A New Mechanism Chinese J Catal V. 47 191 2023.
DOI: 10.1016/S1872-2067(23)64389-X