Bromine 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:

Iron	(Fe)	2 atoms
Sodium	(Na)	1 atom

The binding sites of Bromine 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 Bromine atom.
In total only one binding site of Bromine was determined in the Crystal Structure of Amycolatopsis Cytochrome P450 Reductase Gcob., PDB code: 5ogx:

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


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br 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:Br404 b:30.0 occ:0.50 O A:HOH730 3.0 39.2 1.0 N A:THR102 3.2 24.4 1.0 NH1 A:ARG99 3.3 34.3 1.0 N A:GLU124 3.5 30.7 1.0 NH2 A:ARG99 3.7 34.5 1.0 N A:ALA123 3.7 26.7 1.0 O A:GLU124 3.8 26.6 1.0 CZ A:ARG99 4.0 34.3 1.0 CA A:LEU101 4.0 23.2 1.0 O A:THR102 4.0 30.3 1.0 CB A:THR102 4.0 32.2 1.0 CA A:THR102 4.1 24.8 1.0 CB A:LEU122 4.1 23.5 1.0 C A:LEU101 4.1 26.1 1.0 CB A:GLU124 4.1 31.9 1.0 CB A:ALA123 4.2 33.4 1.0 CA A:GLU124 4.2 30.2 1.0 CG A:GLU124 4.2 35.1 1.0 CA A:ALA123 4.3 31.0 1.0 C A:THR102 4.3 28.0 1.0 C A:ALA123 4.3 34.1 1.0 OG1 A:THR102 4.4 36.0 1.0 CD2 A:LEU122 4.5 26.0 1.0 C A:GLU124 4.5 25.5 1.0 CB A:LEU101 4.5 23.4 1.0 C A:LEU122 4.5 31.4 1.0 CA A:LEU122 4.5 29.7 1.0 CD2 A:LEU101 4.6 23.6 1.0 O A:ASP100 4.7 30.5 1.0 CG A:LEU122 4.7 22.4 1.0 CD1 A:LEU122 4.9 24.9 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