Iron in PDB 6j94: Crystal Structure of CYP97A3

The structure of Crystal Structure of CYP97A3, PDB code: 6j94 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)	41.96 / 2.40
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	164.006, 70.414, 133.168, 90.00, 124.62, 90.00
R / Rfree (%)	18.3 / 21.3

The binding sites of Iron atom in the Crystal Structure of CYP97A3 (pdb code 6j94). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Crystal Structure of CYP97A3, PDB code: 6j94:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of CYP97A3


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 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe601 b:10.3 occ:1.00 FE A:HEM601 0.0 10.3 1.0 NB A:HEM601 2.0 7.5 1.0 NC A:HEM601 2.1 10.4 1.0 NA A:HEM601 2.1 6.7 1.0 ND A:HEM601 2.1 5.7 1.0 SG A:CYS516 2.6 9.2 1.0 O A:HOH827 2.7 11.7 1.0 C1B A:HEM601 3.1 6.4 1.0 C4C A:HEM601 3.1 8.4 1.0 C4B A:HEM601 3.1 6.5 1.0 C1C A:HEM601 3.1 7.6 1.0 C4A A:HEM601 3.1 7.5 1.0 C1A A:HEM601 3.1 6.2 1.0 C4D A:HEM601 3.1 6.1 1.0 C1D A:HEM601 3.1 7.5 1.0 CB A:CYS516 3.3 9.3 1.0 CHB A:HEM601 3.4 7.8 1.0 CHC A:HEM601 3.4 7.1 1.0 CHD A:HEM601 3.5 7.3 1.0 CHA A:HEM601 3.5 6.1 1.0 CA A:CYS516 3.9 6.8 1.0 O A:ALA377 4.2 11.2 1.0 C2B A:HEM601 4.3 7.2 1.0 C3C A:HEM601 4.3 7.4 1.0 C2C A:HEM601 4.3 8.3 1.0 C3B A:HEM601 4.3 9.3 1.0 C3A A:HEM601 4.3 5.4 1.0 C2A A:HEM601 4.3 7.0 1.0 C3D A:HEM601 4.3 6.0 1.0 C2D A:HEM601 4.3 6.7 1.0 O A:HOH890 4.5 10.4 1.0 CB A:ALA377 4.6 8.1 1.0 N A:ILE517 4.7 8.1 1.0 C A:CYS516 4.8 7.3 1.0 N A:GLY518 4.8 9.1 1.0 C A:ALA377 4.9 10.8 1.0 N A:CYS516 5.0 5.7 1.0

Iron binding site 2 out of 2 in the Crystal Structure of CYP97A3


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Structure of CYP97A3 within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe601 b:6.0 occ:1.00 FE B:HEM601 0.0 6.0 1.0 NB B:HEM601 2.0 3.5 1.0 NC B:HEM601 2.1 6.4 1.0 NA B:HEM601 2.1 4.1 1.0 ND B:HEM601 2.1 5.2 1.0 SG B:CYS516 2.5 5.6 1.0 O B:HOH887 2.7 8.9 1.0 C4B B:HEM601 3.1 4.2 1.0 C1C B:HEM601 3.1 4.5 1.0 C1B B:HEM601 3.1 3.6 1.0 C1A B:HEM601 3.1 3.5 1.0 C4A B:HEM601 3.1 3.7 1.0 C4D B:HEM601 3.1 4.5 1.0 C4C B:HEM601 3.1 5.5 1.0 C1D B:HEM601 3.1 4.9 1.0 CB B:CYS516 3.3 4.8 1.0 CHC B:HEM601 3.4 5.4 1.0 CHA B:HEM601 3.4 4.1 1.0 CHB B:HEM601 3.4 4.0 1.0 CHD B:HEM601 3.5 5.1 1.0 CA B:CYS516 3.9 5.2 1.0 C2C B:HEM601 4.3 5.1 1.0 C2A B:HEM601 4.3 4.1 1.0 C3B B:HEM601 4.3 4.5 1.0 C2B B:HEM601 4.3 3.4 1.0 C3A B:HEM601 4.3 3.3 1.0 C3C B:HEM601 4.3 5.8 1.0 C3D B:HEM601 4.3 4.8 1.0 C2D B:HEM601 4.3 6.0 1.0 O B:ALA377 4.4 7.3 1.0 O B:HOH882 4.5 5.4 1.0 CB B:ALA377 4.5 6.9 1.0 N B:ILE517 4.7 5.0 1.0 N B:GLY518 4.7 6.8 1.0 C B:CYS516 4.8 5.4 1.0 O B:HOH1025 4.8 12.6 1.0 C B:ALA377 5.0 7.3 1.0

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