Iron in PDB 1dz9: Putative Oxo Complex of P450CAM From Pseudomonas Putida

The structure of Putative Oxo Complex of P450CAM From Pseudomonas Putida, PDB code: 1dz9 was solved by I.Schlichting, J.Berendzen, K.Chu, A.M.Stock, S.A.Maves, D.E.Benson, R.M.Sweet, D.Ringe, G.A.Petsko, S.G.Sligar, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.00 / 1.90
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	66.900, 61.700, 94.600, 90.00, 90.30, 90.00
R / Rfree (%)	17.7 / 24.8

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

Potassium

(K)

3 atoms

The binding sites of Iron atom in the Putative Oxo Complex of P450CAM From Pseudomonas Putida (pdb code 1dz9). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Putative Oxo Complex of P450CAM From Pseudomonas Putida, PDB code: 1dz9:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Putative Oxo 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 Putative Oxo Complex of P450CAM From Pseudomonas Putida within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe501 b:15.0 occ:1.00 FE A:HEM501 0.0 15.0 1.0 O A:O502 1.7 18.1 0.7 NA A:HEM501 2.0 16.4 1.0 ND A:HEM501 2.0 14.7 1.0 NB A:HEM501 2.0 16.3 1.0 NC A:HEM501 2.1 13.6 1.0 SG A:CYS357 2.3 12.8 1.0 C1C A:HEM501 3.0 18.9 1.0 C4A A:HEM501 3.0 16.9 1.0 C4B A:HEM501 3.0 20.4 1.0 C1A A:HEM501 3.0 15.7 1.0 C1D A:HEM501 3.1 19.4 1.0 C4D A:HEM501 3.1 22.3 1.0 C4C A:HEM501 3.1 14.2 1.0 C1B A:HEM501 3.1 16.3 1.0 CHC A:HEM501 3.3 9.0 1.0 CHB A:HEM501 3.4 16.6 1.0 CB A:CYS357 3.4 20.9 1.0 CHA A:HEM501 3.4 17.7 1.0 CHD A:HEM501 3.5 20.9 1.0 CA A:CYS357 4.0 11.2 1.0 O A:HOH609 4.1 29.2 0.7 C2C A:HEM501 4.2 23.2 1.0 C5 A:CAM503 4.3 20.3 1.0 C3A A:HEM501 4.3 13.3 1.0 C2A A:HEM501 4.3 15.9 1.0 C3C A:HEM501 4.3 18.9 1.0 C3B A:HEM501 4.3 24.2 1.0 C2D A:HEM501 4.3 24.0 1.0 C3D A:HEM501 4.3 14.5 1.0 C2B A:HEM501 4.3 15.7 1.0 N A:GLY359 4.5 13.8 1.0 C9 A:CAM503 4.6 17.8 1.0 C A:CYS357 4.7 11.3 1.0 N A:LEU358 4.7 17.0 1.0 C4 A:CAM503 4.7 22.0 1.0 CA A:GLY359 4.9 18.7 1.0

Iron binding site 2 out of 2 in the Putative Oxo 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 Putative Oxo Complex of P450CAM From Pseudomonas Putida within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe501 b:13.6 occ:1.00 FE B:HEM501 0.0 13.6 1.0 NB B:HEM501 2.0 12.3 1.0 ND B:HEM501 2.0 13.3 1.0 NA B:HEM501 2.0 15.1 1.0 NC B:HEM501 2.0 17.7 1.0 O B:HOH653 2.1 28.2 0.7 SG B:CYS357 2.3 9.9 1.0 C1D B:HEM501 3.0 15.0 1.0 C4C B:HEM501 3.0 13.2 1.0 C4A B:HEM501 3.0 12.4 1.0 C1B B:HEM501 3.0 15.1 1.0 C4B B:HEM501 3.1 14.8 1.0 C1C B:HEM501 3.1 15.3 1.0 C4D B:HEM501 3.1 11.3 1.0 C1A B:HEM501 3.1 16.4 1.0 CHD B:HEM501 3.3 11.9 1.0 CB B:CYS357 3.4 14.1 1.0 CHB B:HEM501 3.4 11.6 1.0 CHC B:HEM501 3.4 17.2 1.0 CHA B:HEM501 3.5 10.1 1.0 O B:HOH603 3.6 22.1 0.7 CA B:CYS357 4.0 9.1 1.0 C2D B:HEM501 4.3 13.9 1.0 C3C B:HEM501 4.3 18.9 1.0 C3B B:HEM501 4.3 14.7 1.0 C2B B:HEM501 4.3 15.5 1.0 C3D B:HEM501 4.3 13.7 1.0 C2C B:HEM501 4.3 16.6 1.0 C3A B:HEM501 4.3 13.8 1.0 C2A B:HEM501 4.3 11.0 1.0 N B:GLY359 4.5 12.1 1.0 C5 B:CAM502 4.5 16.1 1.0 N B:LEU358 4.6 8.8 1.0 C B:CYS357 4.7 11.9 1.0 C4 B:CAM502 4.8 20.9 1.0 C9 B:CAM502 4.8 17.8 1.0 CA B:GLY359 5.0 10.2 1.0

I.Schlichting, J.Berendzen, K.Chu, A.M.Stock, S.A.Maves, D.E.Benson, R.M.Sweet, D.Ringe, G.A.Petsko, S.G.Sligar. The Catalytic Pathway of Cytochrome P450CAM at Atomic Resolution Science V. 287 1615 2000.
ISSN: ISSN 0036-8075
PubMed: 10698731
DOI: 10.1126/SCIENCE.287.5458.1615