Zinc in PDB 5op6: Factor Inhibiting Hif (Fih) in Complex with Zinc and GSK128863

All present enzymatic activity of Factor Inhibiting Hif (Fih) in Complex with Zinc and GSK128863:
1.14.11.30;

The structure of Factor Inhibiting Hif (Fih) in Complex with Zinc and GSK128863, PDB code: 5op6 was solved by T.M.Leissing, C.J.Schofield, I.J.Clifton, C.C.Thinnes, X.Lu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.31 / 2.45
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	86.210, 86.210, 147.070, 90.00, 90.00, 90.00
R / Rfree (%)	20.4 / 22.7

The binding sites of Zinc atom in the Factor Inhibiting Hif (Fih) in Complex with Zinc and GSK128863 (pdb code 5op6). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total only one binding site of Zinc was determined in the Factor Inhibiting Hif (Fih) in Complex with Zinc and GSK128863, PDB code: 5op6:

Zinc binding site 1 out of 1 in the Factor Inhibiting Hif (Fih) in Complex with Zinc and GSK128863


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Factor Inhibiting Hif (Fih) in Complex with Zinc and GSK128863 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn401 b:46.6 occ:1.00 H111 A:A0W404 1.9 80.4 1.0 OD2 A:ASP201 2.0 46.4 1.0 O19 A:A0W404 2.0 55.1 1.0 NE2 A:HIS199 2.0 46.6 1.0 NE2 A:HIS279 2.1 37.7 1.0 O11 A:A0W404 2.2 67.0 1.0 CG A:ASP201 2.8 45.6 1.0 CE1 A:HIS279 3.0 42.5 1.0 C13 A:A0W404 3.0 58.9 1.0 CE1 A:HIS199 3.0 45.1 1.0 CD2 A:HIS199 3.0 42.0 1.0 OD1 A:ASP201 3.0 45.4 1.0 HE1 A:HIS279 3.1 51.0 1.0 CD2 A:HIS279 3.1 38.2 1.0 HH2 A:TRP296 3.1 70.6 1.0 HE1 A:HIS199 3.2 54.2 1.0 HD2 A:HIS199 3.2 50.4 1.0 C10 A:A0W404 3.2 66.9 1.0 HD2 A:HIS279 3.4 45.8 1.0 C12 A:A0W404 3.5 64.9 1.0 HO2 A:GOL405 3.9 99.4 0.8 H052 A:A0W404 3.9 88.8 1.0 CH2 A:TRP296 4.1 58.8 1.0 ND1 A:HIS279 4.1 48.4 1.0 ND1 A:HIS199 4.1 43.0 1.0 CG A:HIS199 4.2 42.9 1.0 N14 A:A0W404 4.2 56.1 1.0 O A:HOH543 4.2 42.0 1.0 CG A:HIS279 4.2 44.5 1.0 O2 A:GOL405 4.2 82.8 0.8 CB A:ASP201 4.3 40.0 1.0 H151 A:A0W404 4.3 64.4 1.0 HB2 A:ASP201 4.4 48.0 1.0 N03 A:A0W404 4.5 68.0 1.0 H091 A:A0W404 4.6 85.7 1.0 C15 A:A0W404 4.6 53.7 1.0 H152 A:A0W404 4.7 64.4 1.0 HZ2 A:TRP296 4.7 72.1 1.0 HZ3 A:TRP296 4.7 68.4 1.0 C05 A:A0W404 4.8 74.0 1.0 HB3 A:ASP201 4.8 48.0 1.0 CZ2 A:TRP296 4.9 60.1 1.0 HD1 A:HIS279 4.9 58.1 1.0 CZ3 A:TRP296 4.9 57.0 1.0 HD1 A:HIS199 4.9 51.6 1.0 H141 A:A0W404 4.9 67.3 1.0 H A:ASP201 4.9 55.9 1.0 C20 A:A0W404 5.0 67.3 1.0 H051 A:A0W404 5.0 88.8 1.0 HD22 A:ASN205 5.0 56.3 1.0 N A:ASP201 5.0 46.6 1.0

T.L.Yeh, T.M.Leissing, M.I.Abboud, C.C.Thinnes, O.Atasoylu, J.P.Holt-Martyn, D.Zhang, A.Tumber, K.Lippl, C.T.Lohans, I.K.H.Leung, H.Morcrette, I.J.Clifton, T.D.W.Claridge, A.Kawamura, E.Flashman, X.Lu, P.J.Ratcliffe, R.Chowdhury, C.W.Pugh, C.J.Schofield. Molecular and Cellular Mechanisms of Hif Prolyl Hydroxylase Inhibitors in Clinical Trials. Chem Sci V. 8 7651 2017.
ISSN: ISSN 2041-6520
PubMed: 29435217
DOI: 10.1039/C7SC02103H