Iron in PDB 5ncb: Crystal Structure of Amycolatopsis Cytochrome P450 Gcoa in Complex with Guaiacol.

The structure of Crystal Structure of Amycolatopsis Cytochrome P450 Gcoa in Complex with Guaiacol., PDB code: 5ncb 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)	77.39 / 1.44
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	104.080, 104.080, 115.754, 90.00, 90.00, 90.00
R / Rfree (%)	12.8 / 15.1

The binding sites of Iron atom in the Crystal Structure of Amycolatopsis Cytochrome P450 Gcoa in Complex with Guaiacol. (pdb code 5ncb). 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 Guaiacol., PDB code: 5ncb:

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


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 Guaiacol. within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe501 b:16.5 occ:1.00 FE A:HEM501 0.0 16.5 1.0 ND A:HEM501 2.0 17.5 1.0 NA A:HEM501 2.0 16.9 1.0 NC A:HEM501 2.0 18.4 1.0 NB A:HEM501 2.0 20.9 1.0 SG A:CYS356 2.4 16.6 1.0 C4B A:HEM501 3.0 16.1 1.0 C4D A:HEM501 3.0 15.8 1.0 C1B A:HEM501 3.0 16.6 1.0 C1C A:HEM501 3.0 16.0 1.0 C1D A:HEM501 3.0 16.7 1.0 C1A A:HEM501 3.0 16.5 1.0 C4C A:HEM501 3.1 16.3 1.0 C4A A:HEM501 3.1 15.7 1.0 CB A:CYS356 3.3 17.1 1.0 CHC A:HEM501 3.4 15.6 1.0 CHB A:HEM501 3.4 16.7 1.0 CHD A:HEM501 3.4 16.6 1.0 CHA A:HEM501 3.4 16.4 1.0 CAA A:JZ3502 3.9 18.7 1.0 CA A:CYS356 3.9 16.0 1.0 C2B A:HEM501 4.2 15.9 1.0 C3B A:HEM501 4.3 16.3 1.0 C3A A:HEM501 4.3 15.4 1.0 C3C A:HEM501 4.3 16.1 1.0 C2C A:HEM501 4.3 16.7 1.0 C2A A:HEM501 4.3 15.5 1.0 C2D A:HEM501 4.3 16.8 1.0 C3D A:HEM501 4.3 16.0 1.0 N A:ALA357 4.7 15.9 1.0 C A:CYS356 4.7 16.9 1.0 N A:GLY358 4.7 17.2 1.0 CD1 A:ILE292 4.8 18.0 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