Iron in PDB 3mvr: Crystal Structure of Cytochrome P450 2B4-H226Y in A Closed Conformation

All present enzymatic activity of Crystal Structure of Cytochrome P450 2B4-H226Y in A Closed Conformation:
1.14.14.1;

The structure of Crystal Structure of Cytochrome P450 2B4-H226Y in A Closed Conformation, PDB code: 3mvr was solved by M.B.Shah, C.D.Stout, J.R.Halpert, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	150.00 / 1.76
Space group	P 31
Cell size a, b, c (Å), α, β, γ (°)	91.470, 91.470, 150.400, 90.00, 90.00, 120.00
R / Rfree (%)	19.6 / 22.4

The binding sites of Iron atom in the Crystal Structure of Cytochrome P450 2B4-H226Y in A Closed Conformation (pdb code 3mvr). 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 Cytochrome P450 2B4-H226Y in A Closed Conformation, PDB code: 3mvr:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of Cytochrome P450 2B4-H226Y in A Closed Conformation


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 Cytochrome P450 2B4-H226Y in A Closed Conformation within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe500 b:15.1 occ:1.00 FE A:HEM500 0.0 15.1 1.0 NA A:HEM500 2.0 14.9 1.0 NC A:HEM500 2.1 15.7 1.0 ND A:HEM500 2.1 12.7 1.0 NB A:HEM500 2.1 15.1 1.0 SG A:CYS436 2.4 16.1 1.0 C4A A:HEM500 3.1 15.6 1.0 C1D A:HEM500 3.1 14.1 1.0 C4B A:HEM500 3.1 14.1 1.0 C1A A:HEM500 3.1 14.5 1.0 C4D A:HEM500 3.1 14.0 1.0 C1B A:HEM500 3.1 13.8 1.0 C4C A:HEM500 3.1 14.8 1.0 C1C A:HEM500 3.1 15.3 1.0 CB A:CYS436 3.3 15.7 1.0 CHB A:HEM500 3.4 14.2 1.0 CHD A:HEM500 3.4 13.8 1.0 CHA A:HEM500 3.5 13.1 1.0 CHC A:HEM500 3.5 15.0 1.0 O A:HOH952 3.5 35.3 1.0 CA A:CYS436 4.0 16.3 1.0 O A:ALA298 4.2 19.2 1.0 C3A A:HEM500 4.3 14.8 1.0 C3B A:HEM500 4.3 12.8 1.0 C2A A:HEM500 4.3 14.1 1.0 C2C A:HEM500 4.3 17.1 1.0 C2B A:HEM500 4.3 13.1 1.0 C2D A:HEM500 4.3 15.0 1.0 C3C A:HEM500 4.3 15.2 1.0 C3D A:HEM500 4.3 14.1 1.0 CB A:ALA298 4.5 17.4 1.0 C A:CYS436 4.7 16.1 1.0 N A:GLY438 4.8 16.2 1.0 N A:LEU437 4.8 16.0 1.0 C A:ALA298 4.9 17.6 1.0

Iron binding site 2 out of 2 in the Crystal Structure of Cytochrome P450 2B4-H226Y in A Closed Conformation


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 Cytochrome P450 2B4-H226Y in A Closed Conformation within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe500 b:15.5 occ:1.00 FE B:HEM500 0.0 15.5 1.0 NA B:HEM500 2.0 16.7 1.0 ND B:HEM500 2.1 13.4 1.0 NC B:HEM500 2.1 16.5 1.0 NB B:HEM500 2.1 13.7 1.0 SG B:CYS436 2.4 16.4 1.0 C1D B:HEM500 3.1 15.5 1.0 C4A B:HEM500 3.1 15.4 1.0 C4D B:HEM500 3.1 16.4 1.0 C1B B:HEM500 3.1 13.9 1.0 C1A B:HEM500 3.1 15.1 1.0 C4C B:HEM500 3.1 15.1 1.0 C1C B:HEM500 3.1 15.8 1.0 C4B B:HEM500 3.1 14.8 1.0 CB B:CYS436 3.3 16.2 1.0 O B:HOH919 3.4 35.2 1.0 CHB B:HEM500 3.4 13.2 1.0 CHD B:HEM500 3.4 14.1 1.0 CHA B:HEM500 3.5 15.1 1.0 CHC B:HEM500 3.5 15.3 1.0 CA B:CYS436 4.0 16.3 1.0 O B:ALA298 4.2 18.4 1.0 C3A B:HEM500 4.3 15.3 1.0 C2D B:HEM500 4.3 17.5 1.0 C2C B:HEM500 4.3 17.2 1.0 C2B B:HEM500 4.3 12.7 1.0 C2A B:HEM500 4.3 15.3 1.0 C3C B:HEM500 4.3 16.3 1.0 C3D B:HEM500 4.3 15.8 1.0 C3B B:HEM500 4.3 12.0 1.0 CB B:ALA298 4.5 16.8 1.0 C B:CYS436 4.7 15.9 1.0 N B:GLY438 4.7 16.3 1.0 N B:LEU437 4.8 16.1 1.0 C B:ALA298 4.9 17.3 1.0

P.R.Wilderman, M.B.Shah, T.Liu, S.Li, S.Hsu, A.G.Roberts, D.R.Goodlett, Q.Zhang, V.L.Woods, C.D.Stout, J.R.Halpert. Plasticity of Cytochrome P450 2B4 As Investigated By Hydrogen-Deuterium Exchange Mass Spectrometry and X-Ray Crystallography. J.Biol.Chem. V. 285 38602 2010.
ISSN: ISSN 0021-9258
PubMed: 20880847
DOI: 10.1074/JBC.M110.180646