Iron in PDB 1n97: Crystal Structure of CYP175A1 From Thermus Thermophillus Strain HB27

The structure of Crystal Structure of CYP175A1 From Thermus Thermophillus Strain HB27, PDB code: 1n97 was solved by J.K.Yano, F.Blasco, H.Li, R.D.Schmid, A.Henne, T.L.Poulos, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.99 / 1.80
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	64.538, 90.699, 74.516, 90.00, 99.68, 90.00
R / Rfree (%)	18.2 / 22.2

The binding sites of Iron atom in the Crystal Structure of CYP175A1 From Thermus Thermophillus Strain HB27 (pdb code 1n97). 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 CYP175A1 From Thermus Thermophillus Strain HB27, PDB code: 1n97:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of CYP175A1 From Thermus Thermophillus Strain HB27


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 CYP175A1 From Thermus Thermophillus Strain HB27 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe602 b:23.2 occ:1.00 FE A:HEM602 0.0 23.2 1.0 NC A:HEM602 1.8 19.5 1.0 NA A:HEM602 1.9 26.5 1.0 NB A:HEM602 2.1 19.1 1.0 ND A:HEM602 2.1 28.5 1.0 SG A:CYS336 2.3 23.0 1.0 C1C A:HEM602 2.9 20.8 1.0 C4A A:HEM602 3.0 20.0 1.0 C4C A:HEM602 3.0 22.0 1.0 C1A A:HEM602 3.0 26.0 1.0 C4B A:HEM602 3.0 19.5 1.0 C4D A:HEM602 3.1 23.8 1.0 C1B A:HEM602 3.1 18.9 1.0 C1D A:HEM602 3.1 22.1 1.0 CB A:CYS336 3.3 24.4 1.0 CHC A:HEM602 3.4 21.1 1.0 CHB A:HEM602 3.4 27.0 1.0 CHA A:HEM602 3.4 26.6 1.0 CHD A:HEM602 3.4 22.9 1.0 CA A:CYS336 4.1 24.1 1.0 C3C A:HEM602 4.1 21.9 1.0 C3A A:HEM602 4.2 24.6 1.0 C2A A:HEM602 4.2 26.4 1.0 C2C A:HEM602 4.2 21.7 1.0 C3B A:HEM602 4.3 20.2 1.0 C2B A:HEM602 4.3 20.8 1.0 C3D A:HEM602 4.3 25.2 1.0 C2D A:HEM602 4.3 26.3 1.0 O A:ALA221 4.3 28.1 1.0 N A:GLY338 4.8 22.6 1.0 CB A:ALA221 4.8 30.5 1.0 C A:CYS336 4.8 24.9 1.0 N A:LEU337 4.8 26.5 1.0

Iron binding site 2 out of 2 in the Crystal Structure of CYP175A1 From Thermus Thermophillus Strain HB27


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 CYP175A1 From Thermus Thermophillus Strain HB27 within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe603 b:15.5 occ:1.00 FE B:HEM603 0.0 15.5 1.0 NA B:HEM603 2.0 14.8 1.0 NC B:HEM603 2.0 17.7 1.0 NB B:HEM603 2.1 13.5 1.0 ND B:HEM603 2.1 15.3 1.0 SG B:CYS336 2.2 15.9 1.0 C4A B:HEM603 3.0 13.1 1.0 C4B B:HEM603 3.0 13.6 1.0 C4D B:HEM603 3.0 14.3 1.0 C1C B:HEM603 3.0 15.1 1.0 C1A B:HEM603 3.0 14.7 1.0 C1D B:HEM603 3.1 14.7 1.0 C4C B:HEM603 3.1 16.6 1.0 C1B B:HEM603 3.1 12.8 1.0 CHA B:HEM603 3.4 13.8 1.0 CHC B:HEM603 3.4 14.4 1.0 CHD B:HEM603 3.4 13.5 1.0 CB B:CYS336 3.5 16.7 1.0 CHB B:HEM603 3.5 16.1 1.0 CA B:CYS336 4.0 18.8 1.0 O B:ALA221 4.1 19.3 1.0 C3C B:HEM603 4.2 19.8 1.0 C3A B:HEM603 4.3 14.2 1.0 C3B B:HEM603 4.3 12.2 1.0 C2D B:HEM603 4.3 17.0 1.0 C2C B:HEM603 4.3 15.9 1.0 C2A B:HEM603 4.3 15.7 1.0 C3D B:HEM603 4.3 16.2 1.0 C2B B:HEM603 4.3 11.6 1.0 CB B:ALA221 4.5 21.6 1.0 C B:CYS336 4.7 16.8 1.0 N B:LEU337 4.7 18.7 1.0 N B:GLY338 4.8 18.0 1.0 C B:ALA221 4.9 20.8 1.0 CD2 B:PHE329 4.9 14.6 1.0

J.K.Yano, F.Blasco, H.Li, R.D.Schmid, A.Henne, T.L.Poulos. Preliminary Characterization and Crystal Structure of A Thermostable Cytochrome P450 From Thermus Thermophilus J.Biol.Chem. V. 278 608 2003.
ISSN: ISSN 0021-9258
PubMed: 12401810
DOI: 10.1074/JBC.M206568200