Iron in PDB 3aba: Crystal Structure of CYP105P1 in Complex with Filipin I

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

Resolution Low / High (Å)	39.74 / 1.80
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	91.368, 91.368, 151.239, 90.00, 90.00, 90.00
R / Rfree (%)	18.8 / 23.8

The binding sites of Iron atom in the Crystal Structure of CYP105P1 in Complex with Filipin I (pdb code 3aba). 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 in Complex with Filipin I, PDB code: 3aba:

Iron binding site 1 out of 1 in the Crystal Structure of CYP105P1 in Complex with Filipin I


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 in Complex with Filipin I within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1408 b:21.9 occ:1.00 FE A:HEM1408 0.0 21.9 1.0 NB A:HEM1408 2.0 20.7 1.0 NA A:HEM1408 2.0 17.5 1.0 NC A:HEM1408 2.1 20.4 1.0 ND A:HEM1408 2.1 20.1 1.0 SG A:CYS348 2.4 15.2 1.0 C4B A:HEM1408 3.0 19.6 1.0 C1A A:HEM1408 3.0 19.8 1.0 C1B A:HEM1408 3.1 19.7 1.0 C1D A:HEM1408 3.1 20.3 1.0 C4D A:HEM1408 3.1 24.6 1.0 C1C A:HEM1408 3.1 20.0 1.0 C4A A:HEM1408 3.1 18.6 1.0 C4C A:HEM1408 3.1 20.8 1.0 CB A:CYS348 3.4 12.9 1.0 CHA A:HEM1408 3.4 20.2 1.0 CHC A:HEM1408 3.4 22.2 1.0 CHB A:HEM1408 3.5 20.3 1.0 CHD A:HEM1408 3.5 20.0 1.0 CA A:CYS348 4.0 13.4 1.0 C3B A:HEM1408 4.2 18.5 1.0 C3C A:HEM1408 4.3 19.3 1.0 C2A A:HEM1408 4.3 19.0 1.0 C2B A:HEM1408 4.3 18.3 1.0 C3A A:HEM1408 4.3 19.8 1.0 C3D A:HEM1408 4.3 22.8 1.0 C2D A:HEM1408 4.3 19.9 1.0 C2C A:HEM1408 4.3 20.6 1.0 C28 A:FLI404 4.5 22.0 1.0 CB A:ALA237 4.6 11.9 1.0 C A:CYS348 4.8 13.2 1.0 N A:GLY350 4.9 13.9 1.0 CD1 A:PHE341 4.9 16.0 1.0 N A:ILE349 5.0 13.6 1.0 C26 A:FLI404 5.0 22.9 1.0

L.H.Xu, S.Fushinobu, S.Takamatsu, T.Wakagi, H.Ikeda, H.Shoun. Regio- and Stereospecificity of Filipin Hydroxylation Sites Revealed By Crystal Structures of Cytochrome P450 105P1 and 105D6 From Streptomyces Avermitilis J.Biol.Chem. V. 285 16844 2010.
ISSN: ISSN 0021-9258
PubMed: 20375018
DOI: 10.1074/JBC.M109.092460