Iron in PDB 6j95: Crystal Structure of CYP97A3 in Complex with Retinal

The structure of Crystal Structure of CYP97A3 in Complex with Retinal, PDB code: 6j95 was solved by G.Niu, Q.Guo, J.Wang, S.Zhao, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.63 / 2.00
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	58.481, 82.097, 110.339, 90.00, 90.00, 90.00
R / Rfree (%)	16.5 / 19.7

The binding sites of Iron atom in the Crystal Structure of CYP97A3 in Complex with Retinal (pdb code 6j95). 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 CYP97A3 in Complex with Retinal, PDB code: 6j95:

Iron binding site 1 out of 1 in the Crystal Structure of CYP97A3 in Complex with Retinal


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 CYP97A3 in Complex with Retinal within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe601 b:22.1 occ:1.00 FE A:HEM601 0.0 22.1 1.0 NB A:HEM601 2.0 21.9 1.0 ND A:HEM601 2.1 22.2 1.0 NA A:HEM601 2.1 19.5 1.0 NC A:HEM601 2.1 20.7 1.0 SG A:CYS516 2.6 24.1 1.0 C4B A:HEM601 3.1 23.4 1.0 C1B A:HEM601 3.1 21.9 1.0 C1D A:HEM601 3.1 19.4 1.0 C4D A:HEM601 3.1 21.8 1.0 C1C A:HEM601 3.1 18.2 1.0 C4A A:HEM601 3.1 19.9 1.0 C1A A:HEM601 3.1 19.4 1.0 C4C A:HEM601 3.1 20.8 1.0 CB A:CYS516 3.3 22.7 1.0 CHC A:HEM601 3.4 20.8 1.0 CHB A:HEM601 3.4 20.6 1.0 CHD A:HEM601 3.5 20.3 1.0 CHA A:HEM601 3.5 21.8 1.0 CA A:CYS516 4.1 20.4 1.0 C2B A:HEM601 4.3 21.7 1.0 C3B A:HEM601 4.3 23.6 1.0 C2D A:HEM601 4.3 20.6 1.0 C3D A:HEM601 4.3 19.9 1.0 C2C A:HEM601 4.3 19.7 1.0 C3A A:HEM601 4.3 17.3 1.0 C3C A:HEM601 4.3 21.6 1.0 C2A A:HEM601 4.3 18.0 1.0 C3 A:RET602 4.3 20.9 1.0 CB A:ALA377 4.5 27.0 1.0 N A:GLY518 4.7 24.7 1.0 N A:ILE517 4.8 20.1 1.0 C A:CYS516 4.8 20.7 1.0 C4 A:RET602 4.9 22.5 1.0

G.Niu, Q.Guo, J.Wang, S.Zhao. Crystal Structure of CYP97A3 in Complex with Retinal To Be Published.