Iron in PDB 5m0p: Crystal Structure of Cytochrome P450 Olet F79A in Complex with Arachidonic Acid

The structure of Crystal Structure of Cytochrome P450 Olet F79A in Complex with Arachidonic Acid, PDB code: 5m0p was solved by K.L.Tee, A.Munro, S.Matthews, D.Leys, C.Levy, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	55.12 / 1.95
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	51.880, 110.120, 164.850, 90.00, 90.00, 90.00
R / Rfree (%)	15.7 / 20.1

The structure of Crystal Structure of Cytochrome P450 Olet F79A in Complex with Arachidonic Acid also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Iron atom in the Crystal Structure of Cytochrome P450 Olet F79A in Complex with Arachidonic Acid (pdb code 5m0p). 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 Cytochrome P450 Olet F79A in Complex with Arachidonic Acid, PDB code: 5m0p:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of Cytochrome P450 Olet F79A in Complex with Arachidonic Acid


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 Cytochrome P450 Olet F79A in Complex with Arachidonic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe501 b:21.4 occ:1.00 FE A:HEM501 0.0 21.4 1.0 ND A:HEM501 2.0 20.7 1.0 NA A:HEM501 2.1 20.3 1.0 NB A:HEM501 2.1 19.7 1.0 NC A:HEM501 2.1 18.6 1.0 O A:HOH795 2.4 35.8 1.0 SG A:CYS365 2.5 23.3 1.0 C1D A:HEM501 3.0 20.0 1.0 C1B A:HEM501 3.0 23.6 1.0 C4D A:HEM501 3.0 21.2 1.0 C4C A:HEM501 3.0 20.2 1.0 C4A A:HEM501 3.0 22.7 1.0 C1C A:HEM501 3.1 18.7 1.0 C4B A:HEM501 3.1 23.4 1.0 C1A A:HEM501 3.1 18.4 1.0 CHD A:HEM501 3.4 18.0 1.0 CHB A:HEM501 3.4 23.3 1.0 CHC A:HEM501 3.4 18.2 1.0 CB A:CYS365 3.4 21.8 1.0 CHA A:HEM501 3.5 24.2 1.0 CA A:CYS365 4.1 22.4 1.0 O A:HOH613 4.2 33.5 1.0 C2D A:HEM501 4.2 18.9 1.0 C2B A:HEM501 4.3 24.8 1.0 C3D A:HEM501 4.3 24.0 1.0 C2C A:HEM501 4.3 19.2 1.0 C3C A:HEM501 4.3 16.1 1.0 C3A A:HEM501 4.3 23.2 1.0 C3B A:HEM501 4.3 21.7 1.0 C2A A:HEM501 4.3 21.5 1.0 CB A:PRO246 4.5 25.4 1.0 NE2 A:GLN354 4.5 21.9 1.0 N A:ALA366 4.7 21.6 1.0 C A:CYS365 4.8 22.2 1.0 N A:GLY367 4.9 22.4 1.0 CG A:PRO246 4.9 25.2 1.0

Iron binding site 2 out of 2 in the Crystal Structure of Cytochrome P450 Olet F79A in Complex with Arachidonic Acid


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 Cytochrome P450 Olet F79A in Complex with Arachidonic Acid within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe501 b:21.7 occ:1.00 FE B:HEM501 0.0 21.7 1.0 ND B:HEM501 2.0 20.8 1.0 NA B:HEM501 2.1 18.8 1.0 NC B:HEM501 2.1 20.0 1.0 NB B:HEM501 2.1 21.0 1.0 O B:HOH855 2.5 35.0 1.0 SG B:CYS365 2.5 22.3 1.0 C4D B:HEM501 3.0 24.9 1.0 C1D B:HEM501 3.0 21.7 1.0 C4B B:HEM501 3.0 21.6 1.0 C1C B:HEM501 3.1 20.1 1.0 C1A B:HEM501 3.1 19.3 1.0 C4A B:HEM501 3.1 24.1 1.0 C1B B:HEM501 3.1 22.6 1.0 C4C B:HEM501 3.1 21.9 1.0 CHC B:HEM501 3.4 18.5 1.0 CHA B:HEM501 3.4 23.7 1.0 CHB B:HEM501 3.4 24.3 1.0 CHD B:HEM501 3.5 21.5 1.0 CB B:CYS365 3.5 24.5 1.0 O B:HOH748 4.1 34.6 1.0 CA B:CYS365 4.1 23.7 1.0 C2D B:HEM501 4.3 24.1 1.0 C2C B:HEM501 4.3 21.5 1.0 C3D B:HEM501 4.3 24.8 1.0 C3B B:HEM501 4.3 22.1 1.0 C3C B:HEM501 4.3 21.3 1.0 C2B B:HEM501 4.3 25.3 1.0 C2A B:HEM501 4.3 19.3 1.0 C3A B:HEM501 4.3 19.7 1.0 CB B:PRO246 4.4 20.9 1.0 NE2 B:GLN354 4.4 21.0 1.0 N B:ALA366 4.8 19.6 1.0 C B:CYS365 4.8 22.1 1.0 CG B:PRO246 4.8 25.2 1.0 N B:GLY367 4.9 25.9 1.0

S.Matthews, J.D.Belcher, K.L.Tee, H.M.Girvan, K.J.Mclean, S.E.Rigby, C.W.Levy, D.Leys, D.A.Parker, R.T.Blankley, A.W.Munro. Catalytic Determinants of Alkene Production By the Cytochrome P450 Peroxygenase Oletje. J. Biol. Chem. V. 292 5128 2017.
ISSN: ESSN 1083-351X
PubMed: 28053093
DOI: 10.1074/JBC.M116.762336