Iron in PDB 8w7g: Crystal Structure of Cytochrome P450 CYP161H12 From Amycolatopsis Pretoriensis

The structure of Crystal Structure of Cytochrome P450 CYP161H12 From Amycolatopsis Pretoriensis, PDB code: 8w7g was solved by L.B.Dong, X.W.Zhang, X.M.Pan, F.R.Li, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.49 / 1.80
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	75.78, 75.78, 141.97, 90, 90, 90
R / Rfree (%)	18.2 / 21.9

The binding sites of Iron atom in the Crystal Structure of Cytochrome P450 CYP161H12 From Amycolatopsis Pretoriensis (pdb code 8w7g). 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 CYP161H12 From Amycolatopsis Pretoriensis, PDB code: 8w7g:

Iron binding site 1 out of 1 in the Crystal Structure of Cytochrome P450 CYP161H12 From Amycolatopsis Pretoriensis


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 CYP161H12 From Amycolatopsis Pretoriensis within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe501 b:13.3 occ:1.00 FE A:HEM501 0.0 13.3 1.0 ND A:HEM501 2.0 11.2 1.0 NA A:HEM501 2.0 12.5 1.0 NC A:HEM501 2.1 11.8 1.0 NB A:HEM501 2.1 13.5 1.0 O A:HOH644 2.3 15.1 1.0 SG A:CYS353 2.3 13.6 1.0 C4D A:HEM501 3.0 13.5 1.0 C4B A:HEM501 3.0 12.4 1.0 C1A A:HEM501 3.0 14.2 1.0 C1C A:HEM501 3.1 13.2 1.0 C1D A:HEM501 3.1 12.9 1.0 C1B A:HEM501 3.1 14.8 1.0 C4A A:HEM501 3.1 13.1 1.0 C4C A:HEM501 3.1 13.0 1.0 CHA A:HEM501 3.4 13.3 1.0 CB A:CYS353 3.4 11.5 1.0 CHC A:HEM501 3.4 12.7 1.0 CHD A:HEM501 3.5 13.7 1.0 CHB A:HEM501 3.5 12.9 1.0 O A:ALA241 4.1 16.2 1.0 CA A:CYS353 4.1 12.4 1.0 C3B A:HEM501 4.2 13.4 1.0 C3D A:HEM501 4.2 13.0 1.0 C2D A:HEM501 4.3 12.6 1.0 C2A A:HEM501 4.3 12.7 1.0 C2B A:HEM501 4.3 12.7 1.0 C3A A:HEM501 4.3 13.8 1.0 C2C A:HEM501 4.3 12.8 1.0 C3C A:HEM501 4.3 13.7 1.0 O A:HOH951 4.8 33.2 1.0 CB A:ALA241 4.8 15.5 1.0 C A:CYS353 4.8 13.5 1.0 N A:GLY355 4.9 12.6 1.0 C A:ALA241 5.0 15.8 1.0 CD1 A:PHE346 5.0 12.1 1.0

X.W.Zhang, L.B.Dong. Explore the Chemical Space of Pentacyclic Triterpenoids: Mining Bacterial CYP450S For Aliphatic C-H Activation To Be Published.