Iron in PDB 3ouj: PHD2 with 2-Oxoglutarate

The structure of PHD2 with 2-Oxoglutarate, PDB code: 3ouj was solved by B.L.Staker, T.L.Arakaki, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	32.33 / 2.30
Space group	P 41
Cell size a, b, c (Å), α, β, γ (°)	72.298, 72.298, 46.496, 90.00, 90.00, 90.00
R / Rfree (%)	20.3 / 25.3

The binding sites of Iron atom in the PHD2 with 2-Oxoglutarate (pdb code 3ouj). 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 with 2-Oxoglutarate, PDB code: 3ouj:

Iron binding site 1 out of 1 in the PHD2 with 2-Oxoglutarate


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of PHD2 with 2-Oxoglutarate within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe601 b:27.7 occ:1.00 O5 A:AKG417 2.0 34.1 1.0 OD1 A:ASP315 2.2 27.8 1.0 NE2 A:HIS374 2.2 26.4 1.0 NE2 A:HIS313 2.2 30.1 1.0 O1 A:AKG417 2.3 36.6 1.0 O A:HOH23 2.4 24.8 1.0 C2 A:AKG417 2.8 36.1 1.0 C1 A:AKG417 2.9 36.5 1.0 CD2 A:HIS313 3.1 29.8 1.0 CE1 A:HIS374 3.1 27.3 1.0 CD2 A:HIS374 3.2 26.7 1.0 CG A:ASP315 3.2 29.4 1.0 CE1 A:HIS313 3.2 30.6 1.0 OD2 A:ASP315 3.5 28.0 1.0 O2 A:AKG417 4.1 35.5 1.0 O A:HOH39 4.2 28.2 1.0 C3 A:AKG417 4.2 36.0 1.0 ND1 A:HIS374 4.3 26.8 1.0 CG A:HIS313 4.3 30.5 1.0 CG A:HIS374 4.3 28.0 1.0 ND1 A:HIS313 4.3 30.6 1.0 O A:HOH32 4.3 48.1 1.0 CB A:ASP315 4.5 30.3 1.0 C4 A:AKG417 4.6 34.9 1.0 CA A:ASP315 4.8 30.5 1.0 CZ A:PHE366 4.9 29.2 1.0 N A:ASP315 5.0 30.1 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