Iron in PDB 1o76: Cyanide Complex of P450CAM From Pseudomonas Putida

All present enzymatic activity of Cyanide Complex of P450CAM From Pseudomonas Putida:
1.14.15.1;

The structure of Cyanide Complex of P450CAM From Pseudomonas Putida, PDB code: 1o76 was solved by R.Fedorov, D.Ghosh, I.Schlichting, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.00 / 1.80
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	67.000, 61.800, 94.600, 90.00, 90.40, 90.00
R / Rfree (%)	19.6 / 23.6

The structure of Cyanide Complex of P450CAM From Pseudomonas Putida also contains other interesting chemical elements:

Potassium

(K)

3 atoms

The binding sites of Iron atom in the Cyanide Complex of P450CAM From Pseudomonas Putida (pdb code 1o76). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Cyanide Complex of P450CAM From Pseudomonas Putida, PDB code: 1o76:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Cyanide Complex of P450CAM From Pseudomonas Putida


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Cyanide Complex of P450CAM From Pseudomonas Putida within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1417 b:17.4 occ:1.00 FE A:HEM1417 0.0 17.4 1.0 C A:CYN1418 1.8 18.6 1.0 NA A:HEM1417 2.0 16.1 1.0 NB A:HEM1417 2.0 16.3 1.0 ND A:HEM1417 2.0 16.8 1.0 NC A:HEM1417 2.1 16.6 1.0 SG A:CYS357 2.4 16.3 1.0 C1A A:HEM1417 3.0 14.9 1.0 C4A A:HEM1417 3.0 15.7 1.0 C1B A:HEM1417 3.0 15.2 1.0 C4D A:HEM1417 3.0 15.4 1.0 C1D A:HEM1417 3.1 15.7 1.0 C4B A:HEM1417 3.1 15.2 1.0 C1C A:HEM1417 3.1 16.2 1.0 C4C A:HEM1417 3.1 16.6 1.0 N A:CYN1418 3.2 21.2 1.0 CHA A:HEM1417 3.4 15.2 1.0 CHB A:HEM1417 3.4 14.4 1.0 CB A:CYS357 3.4 16.3 1.0 CHD A:HEM1417 3.5 16.6 1.0 CHC A:HEM1417 3.5 14.9 1.0 CA A:CYS357 4.1 15.3 1.0 C3A A:HEM1417 4.2 16.0 1.0 C2A A:HEM1417 4.2 15.7 1.0 C2B A:HEM1417 4.3 13.4 1.0 C3D A:HEM1417 4.3 15.0 1.0 C2D A:HEM1417 4.3 17.1 1.0 C3B A:HEM1417 4.3 14.4 1.0 C2C A:HEM1417 4.4 17.2 1.0 C3C A:HEM1417 4.4 16.4 1.0 C5 A:CAM1420 4.4 19.3 1.0 N A:GLY359 4.7 15.7 1.0 N A:LEU358 4.7 15.2 1.0 C9 A:CAM1420 4.8 18.2 1.0 C A:CYS357 4.8 14.9 1.0 C4 A:CAM1420 4.9 18.2 1.0 OG1 A:THR252 5.0 22.4 1.0

Iron binding site 2 out of 2 in the Cyanide Complex of P450CAM From Pseudomonas Putida


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Cyanide Complex of P450CAM From Pseudomonas Putida within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe1417 b:13.9 occ:1.00 FE B:HEM1417 0.0 13.9 1.0 C B:CYN1418 1.8 16.6 1.0 NB B:HEM1417 2.0 12.0 1.0 ND B:HEM1417 2.0 13.8 1.0 NC B:HEM1417 2.0 14.1 1.0 NA B:HEM1417 2.0 12.6 1.0 SG B:CYS357 2.4 13.5 1.0 C4B B:HEM1417 3.0 12.8 1.0 C1C B:HEM1417 3.0 14.0 1.0 C4D B:HEM1417 3.0 12.1 1.0 C1B B:HEM1417 3.0 11.3 1.0 C1D B:HEM1417 3.0 13.5 1.0 C4A B:HEM1417 3.1 12.8 1.0 C4C B:HEM1417 3.1 13.3 1.0 C1A B:HEM1417 3.1 13.1 1.0 N B:CYN1418 3.1 17.2 1.0 CHC B:HEM1417 3.4 14.3 1.0 CB B:CYS357 3.4 11.6 1.0 CHA B:HEM1417 3.4 10.8 1.0 CHD B:HEM1417 3.4 14.3 1.0 CHB B:HEM1417 3.4 11.4 1.0 CA B:CYS357 4.2 13.0 1.0 C3B B:HEM1417 4.3 11.4 1.0 C2B B:HEM1417 4.3 10.1 1.0 C3D B:HEM1417 4.3 13.5 1.0 C2C B:HEM1417 4.3 13.3 1.0 C2D B:HEM1417 4.3 12.7 1.0 C3A B:HEM1417 4.3 12.3 1.0 C3C B:HEM1417 4.3 14.8 1.0 C2A B:HEM1417 4.3 12.4 1.0 C5 B:CAM1420 4.5 13.8 1.0 N B:GLY359 4.7 12.1 1.0 N B:LEU358 4.8 12.4 1.0 C B:CYS357 4.8 13.7 1.0 OG1 B:THR252 4.8 20.1 1.0 C9 B:CAM1420 4.8 10.7 1.0

R.Fedorov, D.Ghosh, I.Schlichting. Crystal Structures of Cyanide Complexes of P450CAM and the Oxygenase Domain of Inducible Nitric Oxide Synthase-Structural Models of the Short-Lived Oxygen Complexes Arch.Biochem.Biophys. V. 409 25 2003.
ISSN: ISSN 0003-9861
PubMed: 12464241
DOI: 10.1016/S0003-9861(02)00555-6