Iron in PDB 8hny: Crystal Structure of Cytochrome P450 NASF5053 Mutant E73S Complexed with 5FCWP

The structure of Crystal Structure of Cytochrome P450 NASF5053 Mutant E73S Complexed with 5FCWP, PDB code: 8hny was solved by B.D.Ma, W.Tian, X.Qu, X.D.Kong, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.51 / 2.10
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	42.121, 90.731, 95.088, 90, 90, 90
R / Rfree (%)	20.3 / 27.7

The structure of Crystal Structure of Cytochrome P450 NASF5053 Mutant E73S Complexed with 5FCWP also contains other interesting chemical elements:

Fluorine

(F)

1 atom

The binding sites of Iron atom in the Crystal Structure of Cytochrome P450 NASF5053 Mutant E73S Complexed with 5FCWP (pdb code 8hny). 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 Cytochrome P450 NASF5053 Mutant E73S Complexed with 5FCWP, PDB code: 8hny:

Iron binding site 1 out of 1 in the Crystal Structure of Cytochrome P450 NASF5053 Mutant E73S Complexed with 5FCWP


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 NASF5053 Mutant E73S Complexed with 5FCWP within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe401 b:23.1 occ:1.00 FE A:HEM401 0.0 23.1 1.0 NC A:HEM401 2.0 16.6 1.0 ND A:HEM401 2.0 19.2 1.0 NA A:HEM401 2.0 18.6 1.0 NB A:HEM401 2.0 14.9 1.0 SG A:CYS348 2.4 22.6 1.0 C4C A:HEM401 3.0 21.3 1.0 C1D A:HEM401 3.0 18.8 1.0 C1C A:HEM401 3.0 16.1 1.0 C4D A:HEM401 3.0 23.8 1.0 C4B A:HEM401 3.0 18.4 1.0 C1A A:HEM401 3.0 22.7 1.0 C4A A:HEM401 3.1 20.3 1.0 C1B A:HEM401 3.1 16.3 1.0 CB A:CYS348 3.2 20.9 1.0 CHD A:HEM401 3.3 17.4 1.0 CHC A:HEM401 3.4 19.3 1.0 CHA A:HEM401 3.4 24.8 1.0 CHB A:HEM401 3.5 18.8 1.0 O A:ALA237 3.9 22.2 1.0 CA A:CYS348 4.2 17.0 1.0 C3C A:HEM401 4.2 16.9 1.0 C2C A:HEM401 4.2 21.1 1.0 C2D A:HEM401 4.2 18.1 1.0 C3D A:HEM401 4.2 19.9 1.0 C3B A:HEM401 4.3 20.2 1.0 C2A A:HEM401 4.3 22.6 1.0 C3A A:HEM401 4.3 21.9 1.0 C2B A:HEM401 4.3 17.8 1.0 HHD A:HEM401 4.3 20.9 1.0 HHC A:HEM401 4.4 23.1 1.0 HHA A:HEM401 4.4 29.8 1.0 HHB A:HEM401 4.4 22.5 1.0 N A:GLY350 4.6 25.1 1.0 C18 A:2IV402 4.7 21.3 1.0 CA A:GLY350 4.8 20.1 1.0 C A:CYS348 4.8 21.7 1.0 C A:ALA237 4.9 25.4 1.0 CB A:ALA237 4.9 19.3 1.0 CD A:PRO349 5.0 20.2 1.0

W.Tian, B.D.Ma, X.D.Kong, X.Qu. Crystal Structure of Cytochrome P450 NASF5053 Mutant E73S Complexed with 5FCWP To Be Published.