Iron in PDB 3e5k: Crystal Structure of CYP105P1 Wild-Type 4-Phenylimidazole Complex

The structure of Crystal Structure of CYP105P1 Wild-Type 4-Phenylimidazole Complex, PDB code: 3e5k was solved by L.H.Xu, S.Fushinobu, H.Ikeda, T.Wakagi, H.Shoun, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.52 / 2.60
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	143.725, 143.725, 70.943, 90.00, 90.00, 120.00
R / Rfree (%)	17.6 / 23.6

The binding sites of Iron atom in the Crystal Structure of CYP105P1 Wild-Type 4-Phenylimidazole Complex (pdb code 3e5k). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total only one binding site of Iron was determined in the Crystal Structure of CYP105P1 Wild-Type 4-Phenylimidazole Complex, PDB code: 3e5k:

Iron binding site 1 out of 1 in the Crystal Structure of CYP105P1 Wild-Type 4-Phenylimidazole Complex


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 CYP105P1 Wild-Type 4-Phenylimidazole Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1408 b:34.5 occ:1.00 FE A:HEM1408 0.0 34.5 1.0 NA A:HEM1408 1.8 33.7 1.0 NC A:HEM1408 1.8 29.4 1.0 N3 A:PIM501 1.9 42.5 1.0 ND A:HEM1408 2.0 37.8 1.0 NB A:HEM1408 2.1 33.4 1.0 SG A:CYS348 2.2 27.5 1.0 C4C A:HEM1408 2.8 36.2 1.0 C2 A:PIM501 2.8 46.7 1.0 C4A A:HEM1408 2.9 37.9 1.0 C1A A:HEM1408 2.9 38.1 1.0 C1C A:HEM1408 2.9 32.9 1.0 C4 A:PIM501 3.0 46.9 1.0 C1D A:HEM1408 3.0 37.5 1.0 C4D A:HEM1408 3.0 37.5 1.0 C4B A:HEM1408 3.1 28.6 1.0 C1B A:HEM1408 3.1 32.0 1.0 CB A:CYS348 3.3 23.6 1.0 CHD A:HEM1408 3.3 29.9 1.0 CHA A:HEM1408 3.4 37.5 1.0 CHB A:HEM1408 3.4 40.1 1.0 CHC A:HEM1408 3.4 31.4 1.0 N1 A:PIM501 4.0 44.1 1.0 CA A:CYS348 4.1 29.2 1.0 C3C A:HEM1408 4.1 34.0 1.0 C5 A:PIM501 4.1 47.5 1.0 C2C A:HEM1408 4.1 30.1 1.0 C3A A:HEM1408 4.2 37.0 1.0 C2A A:HEM1408 4.2 35.9 1.0 C2D A:HEM1408 4.3 35.6 1.0 C3B A:HEM1408 4.3 27.4 1.0 C3D A:HEM1408 4.3 40.5 1.0 C2B A:HEM1408 4.4 37.2 1.0 CB A:ALA237 4.9 32.1 1.0 C A:CYS348 4.9 28.7 1.0 CE1 A:PHE286 4.9 36.4 1.0 N A:GLY350 5.0 26.4 1.0

L.H.Xu, S.Fushinobu, H.Ikeda, T.Wakagi, H.Shoun. Crystal Structures of Cytochrome P450 105P1 From Streptomyces Avermitilis: Conformational Flexibility and Histidine Ligation State J.Bacteriol. V. 191 1211 2009.
ISSN: ISSN 0021-9193
PubMed: 19074393
DOI: 10.1128/JB.01276-08