Iron in PDB 7cl7: Substrate-Free Structure of CYP154C2 From Streptomyces Avermitilis in An Open Conformation

The structure of Substrate-Free Structure of CYP154C2 From Streptomyces Avermitilis in An Open Conformation, PDB code: 7cl7 was solved by L.H.Xu, S.Fushinobu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.35 / 1.95
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	53.98, 80.04, 121.13, 90, 90, 90
R / Rfree (%)	19.7 / 24.3

The structure of Substrate-Free Structure of CYP154C2 From Streptomyces Avermitilis in An Open Conformation also contains other interesting chemical elements:

Calcium

(Ca)

1 atom

The binding sites of Iron atom in the Substrate-Free Structure of CYP154C2 From Streptomyces Avermitilis in An Open Conformation (pdb code 7cl7). 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 Substrate-Free Structure of CYP154C2 From Streptomyces Avermitilis in An Open Conformation, PDB code: 7cl7:

Iron binding site 1 out of 1 in the Substrate-Free Structure of CYP154C2 From Streptomyces Avermitilis in An Open Conformation


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Substrate-Free Structure of CYP154C2 From Streptomyces Avermitilis in An Open Conformation within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe501 b:26.7 occ:1.00 FE A:HEM501 0.0 26.7 1.0 ND A:HEM501 1.9 24.0 1.0 NA A:HEM501 2.0 26.4 1.0 NC A:HEM501 2.1 24.8 1.0 NB A:HEM501 2.1 29.1 1.0 SG A:CYS348 2.4 27.4 1.0 O A:HOH720 2.9 47.3 1.0 C1D A:HEM501 2.9 24.5 1.0 C4D A:HEM501 2.9 23.3 1.0 C4C A:HEM501 3.0 26.3 1.0 C4B A:HEM501 3.0 25.4 1.0 C4A A:HEM501 3.0 28.3 1.0 C1A A:HEM501 3.0 26.4 1.0 C1B A:HEM501 3.0 29.0 1.0 C1C A:HEM501 3.1 25.6 1.0 CHD A:HEM501 3.4 25.8 1.0 CHA A:HEM501 3.4 25.2 1.0 CHB A:HEM501 3.4 29.2 1.0 CHC A:HEM501 3.4 25.2 1.0 CB A:CYS348 3.4 24.6 1.0 CA A:CYS348 4.1 25.2 1.0 C2D A:HEM501 4.2 25.1 1.0 C3A A:HEM501 4.2 27.6 1.0 C3D A:HEM501 4.2 27.4 1.0 C2A A:HEM501 4.2 24.9 1.0 C3C A:HEM501 4.2 26.4 1.0 C3B A:HEM501 4.3 26.6 1.0 C2B A:HEM501 4.3 27.0 1.0 C2C A:HEM501 4.3 28.4 1.0 O A:ALA235 4.4 30.7 1.0 CB A:ALA235 4.5 28.7 1.0 O A:HOH620 4.6 49.0 1.0 CD A:PRO349 4.8 27.1 1.0 N A:GLY350 4.9 23.6 1.0 C A:CYS348 4.9 26.0 1.0 C A:ALA235 4.9 26.6 1.0

L.H.Xu, S.Fushinobu. Substrate-Free Structure of CYP154C2 in An Open Conformation To Be Published.