Iron in PDB 3oui: PHD2-R717 with 40787422

The structure of PHD2-R717 with 40787422, PDB code: 3oui was solved by T.L.Arakaki, H.Kim, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 1.70
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	40.006, 67.795, 79.092, 90.00, 90.00, 90.00
R / Rfree (%)	18.8 / 21.7

The structure of PHD2-R717 with 40787422 also contains other interesting chemical elements:

Chlorine

(Cl)

4 atoms

The binding sites of Iron atom in the PHD2-R717 with 40787422 (pdb code 3oui). 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 PHD2-R717 with 40787422, PDB code: 3oui:

Iron binding site 1 out of 1 in the PHD2-R717 with 40787422


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of PHD2-R717 with 40787422 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1 b:12.2 occ:1.00 NE2 A:HIS374 2.1 10.7 1.0 N15 A:42Z393 2.1 14.6 1.0 OD2 A:ASP315 2.1 14.7 1.0 NE2 A:HIS313 2.2 12.5 1.0 O A:HOH3 2.2 14.3 1.0 O34 A:42Z393 2.2 12.7 1.0 C14 A:42Z393 2.8 14.0 1.0 C24 A:42Z393 2.9 15.1 1.0 CD2 A:HIS374 3.0 13.5 1.0 CE1 A:HIS374 3.0 15.3 1.0 CG A:ASP315 3.1 15.4 1.0 CE1 A:HIS313 3.1 11.2 1.0 CD2 A:HIS313 3.2 12.2 1.0 C2 A:42Z393 3.2 17.8 1.0 OD1 A:ASP315 3.3 15.4 1.0 C1 A:42Z393 3.9 19.9 1.0 N13 A:42Z393 4.1 17.9 1.0 N26 A:42Z393 4.1 15.3 1.0 ND1 A:HIS374 4.1 12.9 1.0 CG A:HIS374 4.2 12.0 1.0 ND1 A:HIS313 4.2 13.1 1.0 O A:HOH17 4.3 17.2 1.0 CG A:HIS313 4.3 13.2 1.0 C3 A:42Z393 4.3 17.0 1.0 CB A:ASP315 4.4 15.9 1.0 C43 A:42Z393 4.7 14.2 1.0 CA A:ASP315 4.8 17.0 1.0 CZ A:PHE366 4.9 15.3 1.0 N A:ASP315 4.9 15.8 1.0

M.D.Rosen, H.Venkatesan, H.M.Peltier, S.D.Bembenek, K.C.Kanelakis, L.X.Zhao, B.E.Leonard, F.M.Hocutt, X.Wu, H.L.Palomino, T.I.Brondstetter, P.V.Haugh, L.Cagnon, W.Yan, L.A.Liotta, A.Young, T.Mirzadegan, N.P.Shankley, T.D.Barrett, M.H.Rabinowitz. Benzimidazole-2-Pyrazole Hif Prolyl 4-Hydroxylase Inhibitors As Oral Erythropoietin Secretagogues. Acs Med Chem Lett V. 1 526 2010.
ISSN: ISSN 1948-5875
PubMed: 24900242
DOI: 10.1021/ML100198Y