Iron in PDB 1wiy: Crystal Structure Analysis of A 6-Coordinated Cytochorome P450 From Thermus Thermophilus HB8

The structure of Crystal Structure Analysis of A 6-Coordinated Cytochorome P450 From Thermus Thermophilus HB8, PDB code: 1wiy was solved by Y.Kousumi, N.Nakagawa, M.Kaneko, H.Yamamoto, R.Masui, S.Kuramitsu, N.Ueyama, Riken Structural Genomics/Proteomicsinitiative (Rsgi), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.96 / 2.00
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	60.990, 83.630, 74.600, 90.00, 92.17, 90.00
R / Rfree (%)	19.7 / 23.1

The binding sites of Iron atom in the Crystal Structure Analysis of A 6-Coordinated Cytochorome P450 From Thermus Thermophilus HB8 (pdb code 1wiy). 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 Analysis of A 6-Coordinated Cytochorome P450 From Thermus Thermophilus HB8, PDB code: 1wiy:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure Analysis of A 6-Coordinated Cytochorome P450 From Thermus Thermophilus HB8


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure Analysis of A 6-Coordinated Cytochorome P450 From Thermus Thermophilus HB8 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe390 b:10.3 occ:1.00 FE A:HEM390 0.0 10.3 1.0 ND A:HEM390 2.0 10.7 1.0 NC A:HEM390 2.0 8.4 1.0 NB A:HEM390 2.0 9.1 1.0 NA A:HEM390 2.0 9.9 1.0 SG A:CYS336 2.3 9.7 1.0 C1D A:HEM390 3.0 10.3 1.0 C4C A:HEM390 3.0 9.8 1.0 C4B A:HEM390 3.1 9.1 1.0 C1A A:HEM390 3.1 11.0 1.0 C1C A:HEM390 3.1 8.2 1.0 C4D A:HEM390 3.1 11.6 1.0 C1B A:HEM390 3.1 11.3 1.0 C4A A:HEM390 3.1 9.8 1.0 CHD A:HEM390 3.3 10.3 1.0 CHC A:HEM390 3.4 7.3 1.0 CHA A:HEM390 3.4 9.9 1.0 CHB A:HEM390 3.4 11.1 1.0 CB A:CYS336 3.5 10.3 1.0 O A:ALA221 4.1 11.6 1.0 CA A:CYS336 4.2 10.0 1.0 C2D A:HEM390 4.3 11.1 1.0 C3D A:HEM390 4.3 12.0 1.0 C2A A:HEM390 4.3 10.9 1.0 C2B A:HEM390 4.3 8.8 1.0 C2C A:HEM390 4.3 7.4 1.0 C3A A:HEM390 4.3 8.5 1.0 C3C A:HEM390 4.3 9.3 1.0 C3B A:HEM390 4.3 8.6 1.0 CB A:ALA221 4.5 11.8 1.0 N A:GLY338 4.7 8.6 1.0 C A:ALA221 4.8 12.1 1.0 C A:CYS336 4.8 9.7 1.0 N A:LEU337 4.8 11.4 1.0

Iron binding site 2 out of 2 in the Crystal Structure Analysis of A 6-Coordinated Cytochorome P450 From Thermus Thermophilus HB8


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Structure Analysis of A 6-Coordinated Cytochorome P450 From Thermus Thermophilus HB8 within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe390 b:12.1 occ:1.00 FE B:HEM390 0.0 12.1 1.0 ND B:HEM390 2.0 9.3 1.0 NA B:HEM390 2.0 9.3 1.0 NB B:HEM390 2.0 10.1 1.0 NC B:HEM390 2.0 9.4 1.0 SG B:CYS336 2.3 10.7 1.0 C4B B:HEM390 3.0 10.4 1.0 C4D B:HEM390 3.0 10.7 1.0 C1B B:HEM390 3.0 11.1 1.0 C1D B:HEM390 3.1 10.3 1.0 C4A B:HEM390 3.1 10.5 1.0 C1A B:HEM390 3.1 11.2 1.0 C1C B:HEM390 3.1 11.5 1.0 C4C B:HEM390 3.1 9.8 1.0 CB B:CYS336 3.3 10.0 1.0 CHC B:HEM390 3.4 8.3 1.0 CHB B:HEM390 3.4 9.7 1.0 CHD B:HEM390 3.4 9.4 1.0 CHA B:HEM390 3.4 9.0 1.0 O B:ALA221 4.0 10.8 1.0 CA B:CYS336 4.1 11.1 1.0 C2A B:HEM390 4.3 8.4 1.0 C2B B:HEM390 4.3 9.3 1.0 C3D B:HEM390 4.3 10.4 1.0 C3A B:HEM390 4.3 9.2 1.0 C2D B:HEM390 4.3 11.8 1.0 C3B B:HEM390 4.3 9.9 1.0 C2C B:HEM390 4.3 9.5 1.0 C3C B:HEM390 4.3 10.8 1.0 CB B:ALA221 4.5 12.0 1.0 N B:GLY338 4.7 11.0 1.0 C B:ALA221 4.7 11.9 1.0 C B:CYS336 4.8 12.2 1.0 CD2 B:PHE329 4.8 8.4 1.0 N B:LEU337 4.9 11.6 1.0

Y.Kousumi, N.Nakagawa, M.Kaneko, H.Yamamoto, R.Masui, S.Kuramitsu, N.Ueyama. Crystal Structure Analysis of Cytochrome P450 From Thermus Thermophilus HB8 To Be Published.