Iron in PDB 6hql: Crystal Structure of Gcoa F169H Bound to Guaiacol

The structure of Crystal Structure of Gcoa F169H Bound to Guaiacol, PDB code: 6hql was solved by S.J.B.Mallinson, D.J.Hinchen, M.D.Allen, C.W.Johnson, 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)	50.99 / 1.49
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	101.986, 101.986, 109.905, 90.00, 90.00, 90.00
R / Rfree (%)	17.4 / 19.8

The binding sites of Iron atom in the Crystal Structure of Gcoa F169H Bound to Guaiacol (pdb code 6hql). 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 Gcoa F169H Bound to Guaiacol, PDB code: 6hql:

Iron binding site 1 out of 1 in the Crystal Structure of Gcoa F169H Bound to 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 Gcoa F169H Bound to Guaiacol within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe501 b:13.3 occ:1.00 FE A:HEM501 0.0 13.3 1.0 NB A:HEM501 2.1 13.9 1.0 NC A:HEM501 2.1 13.5 1.0 ND A:HEM501 2.1 13.2 1.0 NA A:HEM501 2.1 12.0 1.0 SG A:CYS356 2.4 13.1 1.0 C1B A:HEM501 3.1 10.8 1.0 C4B A:HEM501 3.1 14.2 1.0 C1D A:HEM501 3.1 13.2 1.0 C4A A:HEM501 3.1 11.8 1.0 C1C A:HEM501 3.1 13.0 1.0 C4C A:HEM501 3.1 12.3 1.0 C4D A:HEM501 3.1 12.8 1.0 C1A A:HEM501 3.1 13.8 1.0 CB A:CYS356 3.3 12.9 1.0 CHB A:HEM501 3.4 12.6 1.0 CHD A:HEM501 3.4 13.6 1.0 CHC A:HEM501 3.5 10.9 1.0 CHA A:HEM501 3.5 10.8 1.0 CA A:CYS356 3.9 12.0 1.0 CAA A:JZ3502 4.0 17.5 1.0 C3B A:HEM501 4.3 12.5 1.0 C2B A:HEM501 4.3 11.7 1.0 C2D A:HEM501 4.3 13.0 1.0 C2A A:HEM501 4.3 11.5 1.0 C3A A:HEM501 4.3 13.4 1.0 C2C A:HEM501 4.3 13.0 1.0 C3C A:HEM501 4.3 12.9 1.0 C3D A:HEM501 4.3 13.2 1.0 N A:ALA357 4.7 12.6 1.0 C A:CYS356 4.7 13.8 1.0 N A:GLY358 4.7 12.9 1.0 CD1 A:ILE292 4.9 15.4 1.0

M.M.Machovina, S.J.B.Mallinson, B.C.Knott, A.W.Meyers, M.Garcia-Borras, L.Bu, J.E.Gado, A.Oliver, G.P.Schmidt, D.J.Hinchen, M.F.Crowley, C.W.Johnson, E.L.Neidle, C.M.Payne, K.N.Houk, G.T.Beckham, J.E.Mcgeehan, J.L.Dubois. Enabling Microbial Syringol Conversion Through Structure-Guided Protein Engineering. Proc.Natl.Acad.Sci.Usa V. 116 13970 2019.
ISSN: ESSN 1091-6490
PubMed: 31235604
DOI: 10.1073/PNAS.1820001116