Iron in PDB 2wa4: Factor Inhibiting Hif-1 Alpha with N,3-Dihydroxybenzamide

All present enzymatic activity of Factor Inhibiting Hif-1 Alpha with N,3-Dihydroxybenzamide:
1.14.11.16;

The structure of Factor Inhibiting Hif-1 Alpha with N,3-Dihydroxybenzamide, PDB code: 2wa4 was solved by A.Conejo-Garcia, B.M.R.Lienard, I.J.Clifton, M.A.Mcdonough, C.J.Schofield, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	75.38 / 2.50
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	87.115, 87.115, 150.910, 90.00, 90.00, 90.00
R / Rfree (%)	21.1 / 26.7

The binding sites of Iron atom in the Factor Inhibiting Hif-1 Alpha with N,3-Dihydroxybenzamide (pdb code 2wa4). 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 with N,3-Dihydroxybenzamide, PDB code: 2wa4:

Iron binding site 1 out of 1 in the Factor Inhibiting Hif-1 Alpha with N,3-Dihydroxybenzamide


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 with N,3-Dihydroxybenzamide within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe350 b:53.2 occ:1.00 O A:069401 2.0 48.6 0.7 O2 A:069400 2.1 65.8 1.0 O2 A:069401 2.1 36.8 0.7 O A:069400 2.2 56.6 1.0 NE2 A:HIS199 2.2 51.2 1.0 NE2 A:HIS279 2.3 53.8 1.0 C A:069401 2.5 53.5 0.7 N A:069401 2.6 46.0 0.7 N A:069400 2.8 58.1 1.0 C A:069400 2.8 54.4 1.0 CE1 A:HIS199 3.1 50.6 1.0 CD2 A:HIS279 3.1 51.9 1.0 CD2 A:HIS199 3.3 49.8 1.0 CE1 A:HIS279 3.4 50.8 1.0 O A:HOH2054 4.0 56.5 1.0 C1 A:069401 4.0 56.9 0.7 ND1 A:HIS199 4.3 50.5 1.0 CG A:HIS279 4.3 52.0 1.0 CG A:HIS199 4.4 49.4 1.0 C1 A:069400 4.4 53.1 1.0 ND1 A:HIS279 4.4 52.8 1.0 CZ2 A:TRP296 4.7 58.5 1.0 C2 A:069401 4.7 62.5 0.7 ND2 A:ASN205 4.9 56.5 1.0

A.Conejo-Garcia, M.A.Mcdonough, C.Loenarz, L.A.Mcneill, K.S.Hewitson, W.Ge, B.M.Lienard, C.J.Schofield, I.J.Clifton. Structural Basis For Binding of Cyclic 2-Oxoglutarate Analogues to Factor-Inhibiting Hypoxia-Inducible Factor. Bioorg. Med. Chem. Lett. V. 20 6125 2010.
ISSN: ESSN 1464-3405
PubMed: 20822901
DOI: 10.1016/J.BMCL.2010.08.032