Iron in PDB 5omr: Crystal Structure of Amycolatopsis Cytochrome P450 Gcoa in Complex with Vanillin.

The structure of Crystal Structure of Amycolatopsis Cytochrome P450 Gcoa in Complex with Vanillin., PDB code: 5omr 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)	36.81 / 1.68
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	104.110, 104.110, 115.660, 90.00, 90.00, 90.00
R / Rfree (%)	14.7 / 17

The binding sites of Iron atom in the Crystal Structure of Amycolatopsis Cytochrome P450 Gcoa in Complex with Vanillin. (pdb code 5omr). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total only one binding site of Iron was determined in the Crystal Structure of Amycolatopsis Cytochrome P450 Gcoa in Complex with Vanillin., PDB code: 5omr:

Iron binding site 1 out of 1 in the Crystal Structure of Amycolatopsis Cytochrome P450 Gcoa in Complex with Vanillin.


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 Gcoa in Complex with Vanillin. within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe501 b:17.0 occ:1.00 FE A:HEM501 0.0 17.0 1.0 NB A:HEM501 1.8 18.7 1.0 ND A:HEM501 1.8 17.8 1.0 NC A:HEM501 1.9 18.6 1.0 NA A:HEM501 1.9 16.5 1.0 SG A:CYS356 2.4 16.8 1.0 C4B A:HEM501 3.0 16.4 1.0 C1D A:HEM501 3.0 18.9 1.0 C4C A:HEM501 3.0 17.6 1.0 C4A A:HEM501 3.0 17.3 1.0 C1A A:HEM501 3.0 16.5 1.0 C1C A:HEM501 3.1 17.6 1.0 C1B A:HEM501 3.1 18.2 1.0 C4D A:HEM501 3.1 17.3 1.0 CB A:CYS356 3.3 16.3 1.0 CHD A:HEM501 3.7 18.7 1.0 CHB A:HEM501 3.8 21.3 1.0 CHC A:HEM501 3.8 18.6 1.0 CHA A:HEM501 3.8 18.4 1.0 CAA A:V55502 3.9 21.0 1.0 CA A:CYS356 4.0 16.3 1.0 C3C A:HEM501 4.3 18.8 1.0 C2C A:HEM501 4.3 19.2 1.0 C3A A:HEM501 4.3 18.3 1.0 C2A A:HEM501 4.3 17.0 1.0 C3B A:HEM501 4.4 16.4 1.0 C2B A:HEM501 4.4 17.6 1.0 C2D A:HEM501 4.4 16.8 1.0 C3D A:HEM501 4.4 16.5 1.0 N A:ALA357 4.7 18.1 1.0 N A:GLY358 4.7 17.5 1.0 C A:CYS356 4.7 17.7 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