Iron in PDB 3m4v: Crystal Structure of the A330P Mutant of Cytochrome P450 BM3

All present enzymatic activity of Crystal Structure of the A330P Mutant of Cytochrome P450 BM3:
1.14.14.1;

The structure of Crystal Structure of the A330P Mutant of Cytochrome P450 BM3, PDB code: 3m4v was solved by W.Yang, C.J.C.Whitehouse, S.G.Bell, M.Bartlam, L.L.Wong, Z.Rao, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.19 / 1.90
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	58.542, 148.281, 64.368, 90.00, 99.93, 90.00
R / Rfree (%)	18.7 / 23.2

The binding sites of Iron atom in the Crystal Structure of the A330P Mutant of Cytochrome P450 BM3 (pdb code 3m4v). 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 the A330P Mutant of Cytochrome P450 BM3, PDB code: 3m4v:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of the A330P Mutant of Cytochrome P450 BM3


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 the A330P Mutant of Cytochrome P450 BM3 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe482 b:19.1 occ:1.00 FE A:HEM482 0.0 19.1 1.0 NB A:HEM482 2.1 18.5 1.0 NC A:HEM482 2.1 17.8 1.0 ND A:HEM482 2.1 18.0 1.0 NA A:HEM482 2.1 18.8 1.0 SG A:CYS400 2.3 20.0 1.0 O A:HOH562 2.6 39.7 1.0 C4B A:HEM482 3.0 18.9 1.0 C1C A:HEM482 3.1 18.2 1.0 C4C A:HEM482 3.1 18.5 1.0 C1B A:HEM482 3.1 18.2 1.0 C4D A:HEM482 3.1 18.4 1.0 C1D A:HEM482 3.1 18.8 1.0 C4A A:HEM482 3.1 18.5 1.0 C1A A:HEM482 3.1 18.3 1.0 CB A:CYS400 3.3 18.9 1.0 CHC A:HEM482 3.4 17.6 1.0 CHA A:HEM482 3.5 18.1 1.0 CHD A:HEM482 3.5 17.2 1.0 CHB A:HEM482 3.5 18.3 1.0 CA A:CYS400 4.0 19.1 1.0 O A:ALA264 4.1 21.7 1.0 C3B A:HEM482 4.3 18.6 1.0 C2B A:HEM482 4.3 18.1 1.0 C2C A:HEM482 4.3 18.4 1.0 C3C A:HEM482 4.3 18.5 1.0 C3D A:HEM482 4.3 17.7 1.0 C3A A:HEM482 4.3 18.6 1.0 C2D A:HEM482 4.3 17.9 1.0 C2A A:HEM482 4.3 18.1 1.0 CB A:ALA264 4.5 21.0 1.0 C A:CYS400 4.7 19.2 1.0 C A:ALA264 4.8 21.6 1.0 N A:GLY402 4.8 17.6 1.0 N A:ILE401 4.9 18.5 1.0

Iron binding site 2 out of 2 in the Crystal Structure of the A330P Mutant of Cytochrome P450 BM3


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 the A330P Mutant of Cytochrome P450 BM3 within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe482 b:19.2 occ:1.00 FE B:HEM482 0.0 19.2 1.0 NB B:HEM482 2.1 17.9 1.0 NA B:HEM482 2.1 17.2 1.0 NC B:HEM482 2.1 18.1 1.0 ND B:HEM482 2.1 16.7 1.0 SG B:CYS400 2.3 18.9 1.0 O B:HOH588 3.0 37.9 1.0 C4B B:HEM482 3.1 18.3 1.0 C4A B:HEM482 3.1 18.0 1.0 C1B B:HEM482 3.1 18.5 1.0 C1D B:HEM482 3.1 16.9 1.0 C1C B:HEM482 3.1 18.3 1.0 C4C B:HEM482 3.1 18.6 1.0 C1A B:HEM482 3.1 17.1 1.0 C4D B:HEM482 3.1 16.7 1.0 CB B:CYS400 3.3 18.7 1.0 CHD B:HEM482 3.4 18.0 1.0 CHB B:HEM482 3.4 18.1 1.0 CHC B:HEM482 3.4 17.6 1.0 CHA B:HEM482 3.5 17.2 1.0 CA B:CYS400 4.0 18.5 1.0 O B:ALA264 4.2 22.8 1.0 C2B B:HEM482 4.3 17.3 1.0 C3B B:HEM482 4.3 17.3 1.0 C2C B:HEM482 4.3 17.9 1.0 C3A B:HEM482 4.3 17.4 1.0 C3C B:HEM482 4.3 18.2 1.0 C2A B:HEM482 4.3 16.6 1.0 C2D B:HEM482 4.3 16.6 1.0 C3D B:HEM482 4.3 16.0 1.0 CB B:ALA264 4.7 23.3 1.0 C B:CYS400 4.7 18.4 1.0 N B:GLY402 4.7 17.2 1.0 C B:ALA264 4.8 23.4 1.0 N B:ILE401 4.9 18.0 1.0

C.J.C.Whitehouse, W.Yang, J.A.Yorke, B.C.Rowlatt, A.J.Strong, C.F.Blanford, S.G.Bell, M.Bartlam, L.L.Wong, Z.Rao. Structural Basis For the Properties of Two Single-Site Proline Mutants of CYP102A1 (P450BM3) Chembiochem V. 11 2549 2010.
ISSN: ISSN 1439-4227
PubMed: 21110374
DOI: 10.1002/CBIC.201000421