Iron in PDB 4bio: Factor Inhibiting Hif-1 Alpha in Complex with 8-Hydroxyquinoline-5- Carboxylic Acid

All present enzymatic activity of Factor Inhibiting Hif-1 Alpha in Complex with 8-Hydroxyquinoline-5- Carboxylic Acid:
1.14.11.16; 1.14.11.30;

The structure of Factor Inhibiting Hif-1 Alpha in Complex with 8-Hydroxyquinoline-5- Carboxylic Acid, PDB code: 4bio was solved by R.Chowdhury, C.J.Schofield, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	56.59 / 2.45
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	86.720, 86.720, 147.230, 90.00, 90.00, 90.00
R / Rfree (%)	20.1 / 23.4

The binding sites of Iron atom in the Factor Inhibiting Hif-1 Alpha in Complex with 8-Hydroxyquinoline-5- Carboxylic Acid (pdb code 4bio). 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 Factor Inhibiting Hif-1 Alpha in Complex with 8-Hydroxyquinoline-5- Carboxylic Acid, PDB code: 4bio:

Iron binding site 1 out of 1 in the Factor Inhibiting Hif-1 Alpha in Complex with 8-Hydroxyquinoline-5- Carboxylic Acid


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Factor Inhibiting Hif-1 Alpha in Complex with 8-Hydroxyquinoline-5- Carboxylic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe501 b:48.6 occ:1.00 O A:HOH2068 2.2 50.9 1.0 OAC A:8XQ601 2.2 46.6 1.0 OD2 A:ASP201 2.3 39.8 1.0 NAI A:8XQ601 2.4 47.0 1.0 NE2 A:HIS199 2.4 44.8 1.0 OD1 A:ASP201 2.9 39.8 1.0 CG A:ASP201 2.9 39.1 1.0 CAK A:8XQ601 3.1 47.8 1.0 CAN A:8XQ601 3.1 47.5 1.0 CD2 A:HIS199 3.2 43.6 1.0 CAE A:8XQ601 3.4 44.4 1.0 CE1 A:HIS199 3.4 44.0 1.0 NE2 A:HIS279 3.6 38.4 1.0 CZ2 A:TRP296 4.1 58.0 1.0 CE1 A:HIS279 4.3 39.5 1.0 O A:HOH2071 4.3 50.9 1.0 CB A:ASP201 4.4 40.0 1.0 CAF A:8XQ601 4.4 48.5 1.0 CG A:HIS199 4.4 44.8 1.0 CAM A:8XQ601 4.5 47.1 1.0 O A:HOH2045 4.5 72.2 1.0 ND1 A:HIS199 4.5 43.6 1.0 O A:HOH2044 4.5 55.4 1.0 CD2 A:HIS279 4.6 38.8 1.0 CAD A:8XQ601 4.7 44.6 1.0 CH2 A:TRP296 4.7 59.7 1.0

R.J.Hopkinson, A.Tumber, C.Yapp, R.Chowdhury, W.Aik, K.H.Che, X.S.Li, J.B.L.Kristensen, O.N.F.King, M.C.Chan, K.K.Yeoh, H.Choi, L.J.Walport, C.C.Thinnes, J.T.Bush, C.Lejeune, A.M.Rydzik, N.R.Rose, E.A.Bagg, M.A.Mcdonough, T.Krojer, W.W.Yue, S.S.Ng, L.Olsen, P.E.Brennan, U.Oppermann, S.Muller-Knapp, R.J.Klose, P.J.Ratcliffe, C.J.Schofield, A.Kawamura. 5-Carboxy-8-Hydroxyquinoline Is A Broad Spectrum 2-Oxoglutarate Oxygenase Inhibitor Which Causes Iron Translocation. Chem Sci V. 4 3110 2013.
ISSN: ISSN 2041-6520
PubMed: 26682036
DOI: 10.1039/C3SC51122G