Iron in PDB 6hqs: Crystal Structure of Gcoa F169S Bound to Syringol

The structure of Crystal Structure of Gcoa F169S Bound to Syringol, PDB code: 6hqs 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)	52.15 / 2.17
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	104.291, 104.291, 114.035, 90.00, 90.00, 90.00
R / Rfree (%)	16.1 / 18.6

The binding sites of Iron atom in the Crystal Structure of Gcoa F169S Bound to Syringol (pdb code 6hqs). 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 F169S Bound to Syringol, PDB code: 6hqs:

Iron binding site 1 out of 1 in the Crystal Structure of Gcoa F169S Bound to Syringol


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 F169S Bound to Syringol within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe501 b:29.9 occ:1.00 FE A:HEM501 0.0 29.9 1.0 NC A:HEM501 2.1 30.5 1.0 NB A:HEM501 2.1 30.5 1.0 ND A:HEM501 2.1 26.6 1.0 NA A:HEM501 2.1 26.1 1.0 SG A:CYS356 2.4 30.1 1.0 C1B A:HEM501 3.1 31.0 1.0 C4B A:HEM501 3.1 32.5 1.0 C1C A:HEM501 3.1 30.4 1.0 C4A A:HEM501 3.1 25.4 1.0 C4D A:HEM501 3.1 28.9 1.0 C1D A:HEM501 3.1 30.6 1.0 C4C A:HEM501 3.1 30.9 1.0 C1A A:HEM501 3.1 27.1 1.0 CB A:CYS356 3.3 27.2 1.0 CHC A:HEM501 3.4 30.4 1.0 CHB A:HEM501 3.4 27.1 1.0 CHA A:HEM501 3.5 24.6 1.0 CHD A:HEM501 3.5 31.0 1.0 CA A:CYS356 3.9 23.5 1.0 C8 A:3DM502 4.0 28.8 1.0 C2B A:HEM501 4.3 30.5 1.0 C3B A:HEM501 4.3 27.8 1.0 C2C A:HEM501 4.3 30.1 1.0 C2D A:HEM501 4.3 28.6 1.0 C3D A:HEM501 4.3 29.2 1.0 C3C A:HEM501 4.3 29.8 1.0 C3A A:HEM501 4.3 27.3 1.0 C2A A:HEM501 4.3 28.0 1.0 N A:ALA357 4.6 30.7 1.0 C A:CYS356 4.7 29.5 1.0 N A:GLY358 4.7 31.1 1.0 CD1 A:ILE292 5.0 28.4 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