Iron in PDB 7wex: The Crystal Structure of Substrate-Free CYP107X1 From Streptomyces Avermitilis

The structure of The Crystal Structure of Substrate-Free CYP107X1 From Streptomyces Avermitilis, PDB code: 7wex was solved by L.-H.Xu, S.Lin, L.Gao, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.73 / 1.99
Space group	P 63
Cell size a, b, c (Å), α, β, γ (°)	83.381, 83.381, 93.805, 90, 90, 120
R / Rfree (%)	17.8 / 24.3

The binding sites of Iron atom in the The Crystal Structure of Substrate-Free CYP107X1 From Streptomyces Avermitilis (pdb code 7wex). 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 The Crystal Structure of Substrate-Free CYP107X1 From Streptomyces Avermitilis, PDB code: 7wex:

Iron binding site 1 out of 1 in the The Crystal Structure of Substrate-Free CYP107X1 From Streptomyces Avermitilis


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of The Crystal Structure of Substrate-Free CYP107X1 From Streptomyces Avermitilis within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe401 b:20.8 occ:1.00 FE A:HEM401 0.0 20.8 1.0 ND A:HEM401 1.9 19.5 1.0 NA A:HEM401 2.0 20.2 1.0 NB A:HEM401 2.1 21.4 1.0 NC A:HEM401 2.1 18.3 1.0 SG A:CYS339 2.3 22.7 1.0 O A:HOH546 2.6 30.8 1.0 C4D A:HEM401 2.9 18.9 1.0 C1D A:HEM401 3.0 18.0 1.0 C1A A:HEM401 3.0 19.8 1.0 C4B A:HEM401 3.0 21.3 1.0 C1B A:HEM401 3.0 20.8 1.0 C4A A:HEM401 3.0 19.8 1.0 C4C A:HEM401 3.0 18.2 1.0 C1C A:HEM401 3.1 19.5 1.0 CHA A:HEM401 3.3 21.4 1.0 CB A:CYS339 3.4 20.7 1.0 CHD A:HEM401 3.4 17.8 1.0 CHB A:HEM401 3.4 20.6 1.0 CHC A:HEM401 3.4 20.1 1.0 CA A:CYS339 3.9 19.0 1.0 C2A A:HEM401 4.2 22.0 1.0 C3A A:HEM401 4.2 22.1 1.0 C2D A:HEM401 4.2 18.2 1.0 C3D A:HEM401 4.2 17.6 1.0 C2B A:HEM401 4.2 20.7 1.0 C3B A:HEM401 4.2 22.5 1.0 O A:ALA228 4.3 29.1 1.0 C3C A:HEM401 4.3 19.4 1.0 C2C A:HEM401 4.3 19.1 1.0 O3 A:GOL402 4.5 25.7 1.0 CB A:ALA228 4.6 27.3 1.0 C A:CYS339 4.6 22.3 1.0 N A:GLY341 4.7 22.4 1.0 N A:LEU340 4.7 21.8 1.0 ND2 A:ASN232 4.8 23.8 1.0 C A:ALA228 4.9 28.5 1.0 C3 A:GOL402 4.9 27.5 1.0

S.Lin, B.Ma, Q.Gao, J.Yang, G.Lai, R.Lin, B.Yang, B.N.Han, L.H.Xu. The 16 Alpha-Hydroxylation of Progesterone By Cytochrome P450 107X1 From Streptomyces Avermitilis. Chem.Biodivers. V. 19 00177 2022.
ISSN: ESSN 1612-1880
PubMed: 35426465
DOI: 10.1002/CBDV.202200177