Iron in PDB 3lxi: Crystal Structure of Camphor-Bound CYP101D1

The structure of Crystal Structure of Camphor-Bound CYP101D1, PDB code: 3lxi 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)	50.00 / 2.20
Space group	P 64 2 2
Cell size a, b, c (Å), α, β, γ (°)	151.637, 151.637, 195.403, 90.00, 90.00, 120.00
R / Rfree (%)	18.9 / 23.6

The binding sites of Iron atom in the Crystal Structure of Camphor-Bound CYP101D1 (pdb code 3lxi). 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 Camphor-Bound CYP101D1, PDB code: 3lxi:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of Camphor-Bound 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 Camphor-Bound CYP101D1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe422 b:20.1 occ:1.00 FE A:HEM422 0.0 20.1 1.0 NC A:HEM422 2.0 17.3 1.0 NB A:HEM422 2.0 15.3 1.0 NA A:HEM422 2.0 14.8 1.0 ND A:HEM422 2.1 16.7 1.0 SG A:CYS365 2.3 18.8 1.0 C1C A:HEM422 3.0 17.0 1.0 C4B A:HEM422 3.0 16.0 1.0 C4C A:HEM422 3.0 17.4 1.0 C1A A:HEM422 3.1 16.9 1.0 C1B A:HEM422 3.1 16.4 1.0 C4A A:HEM422 3.1 15.4 1.0 C4D A:HEM422 3.1 17.2 1.0 C1D A:HEM422 3.1 17.8 1.0 CHC A:HEM422 3.3 17.7 1.0 CB A:CYS365 3.4 18.5 1.0 CHA A:HEM422 3.4 16.5 1.0 CHD A:HEM422 3.4 16.7 1.0 CHB A:HEM422 3.5 15.4 1.0 CA A:CYS365 4.1 18.7 1.0 C2C A:HEM422 4.2 18.9 1.0 C3B A:HEM422 4.2 14.6 1.0 C3C A:HEM422 4.2 18.2 1.0 C5 A:CAM423 4.3 23.3 1.0 C2B A:HEM422 4.3 15.4 1.0 C2A A:HEM422 4.3 15.6 1.0 C3A A:HEM422 4.3 13.5 1.0 C3D A:HEM422 4.4 17.9 1.0 C2D A:HEM422 4.4 16.1 1.0 N A:GLY367 4.5 19.0 1.0 C A:CYS365 4.7 18.8 1.0 N A:ALA366 4.7 18.4 1.0 C9 A:CAM423 4.8 22.2 1.0 C4 A:CAM423 4.8 24.3 1.0 CA A:GLY367 4.8 18.7 1.0

Iron binding site 2 out of 2 in the Crystal Structure of Camphor-Bound 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 Camphor-Bound CYP101D1 within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe422 b:18.8 occ:1.00 FE B:HEM422 0.0 18.8 1.0 NB B:HEM422 2.0 16.6 1.0 NA B:HEM422 2.0 17.6 1.0 ND B:HEM422 2.1 16.8 1.0 NC B:HEM422 2.1 18.0 1.0 SG B:CYS365 2.3 16.9 1.0 C4B B:HEM422 3.0 17.8 1.0 C1B B:HEM422 3.0 17.3 1.0 C4A B:HEM422 3.0 17.6 1.0 C1D B:HEM422 3.1 17.9 1.0 C1A B:HEM422 3.1 18.3 1.0 C1C B:HEM422 3.1 16.2 1.0 C4C B:HEM422 3.1 18.0 1.0 C4D B:HEM422 3.1 17.4 1.0 CB B:CYS365 3.3 16.9 1.0 CHB B:HEM422 3.4 16.4 1.0 CHC B:HEM422 3.4 15.9 1.0 CHD B:HEM422 3.4 16.1 1.0 CHA B:HEM422 3.5 17.4 1.0 CA B:CYS365 3.9 17.8 1.0 C3B B:HEM422 4.2 16.1 1.0 C2B B:HEM422 4.2 16.4 1.0 C3A B:HEM422 4.3 17.9 1.0 C2A B:HEM422 4.3 16.2 1.0 C2D B:HEM422 4.3 16.4 1.0 C3C B:HEM422 4.3 18.4 1.0 C2C B:HEM422 4.3 18.4 1.0 C3D B:HEM422 4.3 17.1 1.0 C5 B:CAM423 4.4 21.9 1.0 N B:GLY367 4.4 17.4 1.0 C B:CYS365 4.6 17.9 1.0 N B:ALA366 4.6 17.8 1.0 CA B:GLY367 4.8 17.6 1.0 C8 B:CAM423 4.8 18.9 1.0 C4 B:CAM423 4.9 21.5 1.0 CG2 B:THR260 5.0 26.2 1.0 O B:GLY256 5.0 23.4 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