Zinc in PDB 4ai8: Factor Inhibiting Hif-1 Alpha in Complex with Daminozide

All present enzymatic activity of Factor Inhibiting Hif-1 Alpha in Complex with Daminozide:
1.14.11.16;

The structure of Factor Inhibiting Hif-1 Alpha in Complex with Daminozide, PDB code: 4ai8 was solved by O.N.F.King, R.Chowdhury, N.R.Rose, M.A.Mcdonough, I.J.Clifton, C.J.Schofield, A.Kawamura, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.37 / 2.40
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	86.757, 86.757, 145.481, 90.00, 90.00, 90.00
R / Rfree (%)	23.1 / 24.8

The binding sites of Zinc atom in the Factor Inhibiting Hif-1 Alpha in Complex with Daminozide (pdb code 4ai8). 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-1 Alpha in Complex with Daminozide, PDB code: 4ai8:

Zinc binding site 1 out of 1 in the Factor Inhibiting Hif-1 Alpha in Complex with Daminozide


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-1 Alpha in Complex with Daminozide within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1359 b:42.8 occ:1.00 NE2 A:HIS279 2.1 39.2 1.0 O A:HOH2073 2.1 42.0 1.0 OD2 A:ASP201 2.2 31.1 1.0 O01 A:DZA1358 2.2 42.0 1.0 N04 A:DZA1358 2.3 46.3 1.0 NE2 A:HIS199 2.4 40.5 1.0 C02 A:DZA1358 3.0 44.4 1.0 C05 A:DZA1358 3.0 45.1 1.0 N03 A:DZA1358 3.0 45.2 1.0 CE1 A:HIS279 3.0 39.5 1.0 C06 A:DZA1358 3.1 45.5 1.0 CD2 A:HIS279 3.1 37.0 1.0 CG A:ASP201 3.1 38.1 1.0 CE1 A:HIS199 3.3 42.2 1.0 OD1 A:ASP201 3.3 39.4 1.0 CD2 A:HIS199 3.4 42.4 1.0 ND1 A:HIS279 4.1 38.1 1.0 CG A:HIS279 4.2 37.8 1.0 ND1 A:HIS199 4.4 43.3 1.0 O2 A:GOL1355 4.4 0.8 1.0 CG A:HIS199 4.5 43.0 1.0 C07 A:DZA1358 4.5 42.4 1.0 CB A:ASP201 4.6 36.5 1.0 C08 A:DZA1358 4.9 42.8 1.0

N.R.Rose, E.C.Woon, A.Tumber, L.J.Walport, R.Chowdhury, X.S.Li, O.N.King, C.Lejeune, S.S.Ng, T.Krojer, M.C.Chan, A.M.Rydzik, R.J.Hopkinson, K.H.Che, M.Daniel, C.Strain-Damerell, C.Gileadi, G.Kochan, I.K.Leung, J.Dunford, K.K.Yeoh, P.J.Ratcliffe, N.Burgess-Brown, F.Von Delft, S.Muller, B.Marsden, P.E.Brennan, M.A.Mcdonough, U.Oppermann, R.J.Klose, C.J.Schofield, A.Kawamura. Plant Growth Regulator Daminozide Is A Selective Inhibitor of Human KDM2/7 Histone Demethylases. J. Med. Chem. V. 55 6639 2012.
ISSN: ISSN 1520-4804
PubMed: 22724510
DOI: 10.1021/JM300677J