Iron in PDB 3t3y: Crystal Structure of Alkb in Complex with Fe(III) and 2-(3- Hydroxypicolinomido)Acetic Acid

The structure of Crystal Structure of Alkb in Complex with Fe(III) and 2-(3- Hydroxypicolinomido)Acetic Acid, PDB code: 3t3y was solved by W.S.Aik, 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)	22.91 / 2.00
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	36.813, 38.594, 40.487, 71.25, 72.21, 66.70
R / Rfree (%)	18.2 / 22.1

The binding sites of Iron atom in the Crystal Structure of Alkb in Complex with Fe(III) and 2-(3- Hydroxypicolinomido)Acetic Acid (pdb code 3t3y). 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 Crystal Structure of Alkb in Complex with Fe(III) and 2-(3- Hydroxypicolinomido)Acetic Acid, PDB code: 3t3y:

Iron binding site 1 out of 1 in the Crystal Structure of Alkb in Complex with Fe(III) and 2-(3- Hydroxypicolinomido)Acetic Acid


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure of Alkb in Complex with Fe(III) and 2-(3- Hydroxypicolinomido)Acetic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe300 b:34.4 occ:1.00 OD1 A:ASP133 2.1 38.3 1.0 N2 A:MD6401 2.2 34.5 1.0 O3 A:MD6401 2.3 31.0 1.0 O A:HOH1 2.3 26.4 1.0 NE2 A:HIS187 2.3 27.0 1.0 NE2 A:HIS131 2.3 31.8 1.0 C3 A:MD6401 3.0 31.5 1.0 C4 A:MD6401 3.0 33.2 1.0 CG A:ASP133 3.1 41.1 1.0 CE1 A:HIS131 3.1 31.5 1.0 CD2 A:HIS187 3.2 26.0 1.0 C5 A:MD6401 3.2 35.3 1.0 CE1 A:HIS187 3.3 27.1 1.0 CD2 A:HIS131 3.3 33.1 1.0 OD2 A:ASP133 3.5 45.2 1.0 O A:HOH2 3.9 43.6 1.0 ND1 A:HIS131 4.3 34.7 1.0 CG A:HIS187 4.3 25.7 1.0 ND1 A:HIS187 4.3 27.2 1.0 N A:MD6401 4.4 31.2 1.0 C8 A:MD6401 4.4 32.6 1.0 CG A:HIS131 4.4 35.7 1.0 CB A:ASP133 4.5 40.1 1.0 C6 A:MD6401 4.5 35.3 1.0 NH2 A:ARG210 4.7 40.0 1.0 CD2 A:LEU128 4.9 32.7 1.0 N A:ASP133 4.9 37.5 1.0 CA A:MD6401 4.9 27.8 1.0 C7 A:MD6401 5.0 34.6 1.0

E.C.Woon, M.Demetriades, E.A.Bagg, W.Aik, S.M.Krylova, J.H.Ma, M.Chan, L.J.Walport, D.W.Wegman, K.N.Dack, M.A.Mcdonough, S.N.Krylov, C.J.Schofield. Dynamic Combinatorial Mass Spectrometry Leads to Inhibitors of A 2-Oxoglutarate-Dependent Nucleic Acid Demethylase. J.Med.Chem. V. 55 2173 2012.
ISSN: ISSN 0022-2623
PubMed: 22263962
DOI: 10.1021/JM201417E