Iron in PDB 5ogx: Crystal Structure of Amycolatopsis Cytochrome P450 Reductase Gcob.

The structure of Crystal Structure of Amycolatopsis Cytochrome P450 Reductase Gcob., PDB code: 5ogx was solved by S.J.B.Mallinson, C.W.Johnson, E.L.Neidle, G.T.Beckham, J.E.Mcgeehan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.92 / 1.72
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	60.846, 65.903, 97.847, 90.00, 90.00, 90.00
R / Rfree (%)	16.5 / 19.3

The structure of Crystal Structure of Amycolatopsis Cytochrome P450 Reductase Gcob. also contains other interesting chemical elements:

Bromine	(Br)	1 atom
Sodium	(Na)	1 atom

The binding sites of Iron atom in the Crystal Structure of Amycolatopsis Cytochrome P450 Reductase Gcob. (pdb code 5ogx). 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 Amycolatopsis Cytochrome P450 Reductase Gcob., PDB code: 5ogx:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of Amycolatopsis Cytochrome P450 Reductase Gcob.


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 Amycolatopsis Cytochrome P450 Reductase Gcob. within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe402 b:18.2 occ:1.00 FE1 A:FES402 0.0 18.2 1.0 S2 A:FES402 2.2 17.2 1.0 S1 A:FES402 2.2 20.5 1.0 SG A:CYS40 2.3 20.7 1.0 SG A:CYS35 2.4 18.1 1.0 FE2 A:FES402 2.6 18.3 1.0 CB A:CYS40 3.5 24.2 1.0 N A:CYS40 3.5 20.7 1.0 CB A:CYS35 3.6 16.4 1.0 N A:CYS35 3.6 14.5 1.0 N A:ASN36 3.8 19.5 1.0 N A:GLY41 3.9 19.9 1.0 CA A:CYS40 3.9 22.5 1.0 CA A:CYS35 4.0 14.3 1.0 N A:SER34 4.2 16.4 1.0 C A:CYS40 4.3 24.6 1.0 C A:SER34 4.3 19.5 1.0 N A:GLY38 4.3 18.7 1.0 C A:CYS35 4.3 18.4 1.0 N A:THR39 4.3 21.6 1.0 SG A:CYS75 4.4 19.0 1.0 N A:THR42 4.5 21.7 1.0 OG1 A:THR42 4.5 19.4 1.0 N A:GLN37 4.6 17.6 1.0 SG A:CYS43 4.6 19.4 1.0 C A:THR39 4.7 21.4 1.0 CA A:SER34 4.7 17.4 1.0 CA A:GLY38 4.7 20.6 1.0 CA A:ASN36 4.8 19.3 1.0 C A:GLY38 4.8 25.1 1.0 CA A:GLY41 4.8 22.4 1.0 N A:CYS43 4.9 19.4 1.0 O A:SER34 5.0 21.8 1.0

Iron binding site 2 out of 2 in the Crystal Structure of Amycolatopsis Cytochrome P450 Reductase Gcob.


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 Amycolatopsis Cytochrome P450 Reductase Gcob. within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe402 b:18.3 occ:1.00 FE2 A:FES402 0.0 18.3 1.0 S1 A:FES402 2.2 20.5 1.0 S2 A:FES402 2.2 17.2 1.0 SG A:CYS43 2.4 19.4 1.0 SG A:CYS75 2.4 19.0 1.0 FE1 A:FES402 2.6 18.2 1.0 CB A:CYS75 3.3 16.0 1.0 CB A:CYS43 3.4 17.2 1.0 N A:CYS75 4.1 18.7 1.0 N A:GLY38 4.2 18.7 1.0 N A:CYS43 4.3 19.4 1.0 SG A:CYS35 4.3 18.1 1.0 CA A:CYS75 4.3 19.7 1.0 CA A:CYS43 4.4 20.0 1.0 CA A:GLY38 4.5 20.6 1.0 SG A:CYS40 4.5 20.7 1.0 N A:ASN36 4.6 19.5 1.0 CB A:LEU73 4.7 22.8 1.0 CA A:ASN36 4.7 19.3 1.0 N A:GLN37 4.8 17.6 1.0 N A:GLY41 5.0 19.9 1.0

S.J.B.Mallinson, M.M.Machovina, R.L.Silveira, M.Garcia-Borras, N.Gallup, C.W.Johnson, M.D.Allen, M.S.Skaf, M.F.Crowley, E.L.Neidle, K.N.Houk, G.T.Beckham, J.L.Dubois, J.E.Mcgeehan. A Promiscuous Cytochrome P450 Aromatic O-Demethylase For Lignin Bioconversion. Nat Commun V. 9 2487 2018.
ISSN: ESSN 2041-1723
PubMed: 29950589
DOI: 10.1038/S41467-018-04878-2