Iron in PDB 3lxh: Crystal Structure of Cytochrome P450 CYP101D1

The structure of Crystal Structure of Cytochrome P450 CYP101D1, PDB code: 3lxh was solved by W.Yang, S.G.Bell, H.Wang, 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)	49.40 / 2.20
Space group	P 64 2 2
Cell size a, b, c (Å), α, β, γ (°)	150.902, 150.902, 195.318, 90.00, 90.00, 120.00
R / Rfree (%)	20 / 24

The binding sites of Iron atom in the Crystal Structure of Cytochrome P450 CYP101D1 (pdb code 3lxh). 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 CYP101D1, PDB code: 3lxh:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of Cytochrome P450 CYP101D1


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 CYP101D1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe422 b:22.9 occ:1.00 FE A:HEM422 0.0 22.9 1.0 NC A:HEM422 1.9 20.3 1.0 NA A:HEM422 2.0 18.2 1.0 NB A:HEM422 2.0 19.2 1.0 ND A:HEM422 2.1 21.8 1.0 SG A:CYS365 2.3 26.5 1.0 O A:HOH463 2.5 39.5 1.0 C1C A:HEM422 2.9 20.8 1.0 C4C A:HEM422 2.9 20.2 1.0 C4B A:HEM422 3.0 19.4 1.0 C1D A:HEM422 3.0 22.3 1.0 C4A A:HEM422 3.0 18.4 1.0 C1A A:HEM422 3.1 19.3 1.0 C1B A:HEM422 3.1 19.4 1.0 C4D A:HEM422 3.1 21.3 1.0 CHC A:HEM422 3.4 20.4 1.0 CHD A:HEM422 3.4 19.2 1.0 CB A:CYS365 3.4 24.5 1.0 CHB A:HEM422 3.4 18.8 1.0 CHA A:HEM422 3.5 19.7 1.0 CA A:CYS365 4.1 24.1 1.0 C2C A:HEM422 4.1 24.1 1.0 C3C A:HEM422 4.1 21.1 1.0 C3B A:HEM422 4.2 18.5 1.0 C3A A:HEM422 4.3 18.6 1.0 C2B A:HEM422 4.3 18.0 1.0 C2A A:HEM422 4.3 20.1 1.0 C2D A:HEM422 4.3 21.1 1.0 C3D A:HEM422 4.3 23.5 1.0 N A:GLY367 4.5 24.8 1.0 C2 A:DIO423 4.6 53.0 1.0 C A:CYS365 4.7 24.1 1.0 C2' A:DIO423 4.8 54.2 1.0 N A:ALA366 4.8 22.9 1.0 CA A:GLY367 4.8 25.2 1.0

Iron binding site 2 out of 2 in the Crystal Structure of Cytochrome P450 CYP101D1


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 CYP101D1 within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe422 b:26.9 occ:1.00 FE B:HEM422 0.0 26.9 1.0 NB B:HEM422 2.0 24.0 1.0 ND B:HEM422 2.0 24.4 1.0 NA B:HEM422 2.1 24.1 1.0 NC B:HEM422 2.1 24.0 1.0 O B:HOH462 2.3 46.6 1.0 SG B:CYS365 2.4 26.4 1.0 C4B B:HEM422 3.0 25.8 1.0 C1D B:HEM422 3.0 25.9 1.0 C4D B:HEM422 3.0 26.1 1.0 C1B B:HEM422 3.0 24.3 1.0 C4C B:HEM422 3.1 24.7 1.0 C4A B:HEM422 3.1 25.1 1.0 C1A B:HEM422 3.1 24.5 1.0 C1C B:HEM422 3.1 24.4 1.0 CHD B:HEM422 3.4 23.2 1.0 CB B:CYS365 3.4 26.4 1.0 CHA B:HEM422 3.4 25.1 1.0 CHC B:HEM422 3.4 24.2 1.0 CHB B:HEM422 3.4 24.2 1.0 CA B:CYS365 4.0 27.1 1.0 C3B B:HEM422 4.2 22.2 1.0 C2B B:HEM422 4.2 22.4 1.0 C2D B:HEM422 4.2 23.4 1.0 C3D B:HEM422 4.2 23.1 1.0 C3A B:HEM422 4.3 24.2 1.0 C3C B:HEM422 4.3 27.4 1.0 C2A B:HEM422 4.3 23.2 1.0 C2C B:HEM422 4.4 25.9 1.0 N B:GLY367 4.4 25.5 1.0 C B:CYS365 4.6 26.3 1.0 N B:ALA366 4.6 25.6 1.0 CA B:GLY367 4.9 25.4 1.0

W.Yang, S.G.Bell, H.Wang, W.Zhou, N.Hoskins, A.Dale, M.Bartlam, L.L.Wong, Z.Rao. Molecular Characterization of A Class I P450 Electron Transfer System From Novosphingobium Aromaticivorans DSM12444 J.Biol.Chem. V. 285 27372 2010.
ISSN: ISSN 0021-9258
PubMed: 20576606
DOI: 10.1074/JBC.M110.118349