Iron in PDB 3i49: Crystal Structure of Alkb in Complex with Fe(II), 2-Oxoglutarate and Methylated Trinucleotide T-Mec-T

The structure of Crystal Structure of Alkb in Complex with Fe(II), 2-Oxoglutarate and Methylated Trinucleotide T-Mec-T, PDB code: 3i49 was solved by B.Yu, J.F.Hunt, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	33.80 / 1.60
Space group	P 43
Cell size a, b, c (Å), α, β, γ (°)	41.374, 41.374, 117.213, 90.00, 90.00, 90.00
R / Rfree (%)	18.6 / 21.4

The binding sites of Iron atom in the Crystal Structure of Alkb in Complex with Fe(II), 2-Oxoglutarate and Methylated Trinucleotide T-Mec-T (pdb code 3i49). 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(II), 2-Oxoglutarate and Methylated Trinucleotide T-Mec-T, PDB code: 3i49:

Iron binding site 1 out of 1 in the Crystal Structure of Alkb in Complex with Fe(II), 2-Oxoglutarate and Methylated Trinucleotide T-Mec-T


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(II), 2-Oxoglutarate and Methylated Trinucleotide T-Mec-T within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe300 b:10.7 occ:1.00 O2 A:AKG400 2.1 12.7 1.0 OD1 A:ASP133 2.1 13.7 1.0 NE2 A:HIS187 2.2 10.7 1.0 O A:HOH601 2.2 14.6 1.0 NE2 A:HIS131 2.2 10.4 1.0 O5 A:AKG400 2.3 9.8 1.0 C1 A:AKG400 2.9 11.1 1.0 C2 A:AKG400 2.9 10.5 1.0 CE1 A:HIS131 3.1 10.5 1.0 CG A:ASP133 3.1 14.8 1.0 CD2 A:HIS187 3.1 9.3 1.0 CE1 A:HIS187 3.1 11.0 1.0 CD2 A:HIS131 3.2 9.8 1.0 OD2 A:ASP133 3.4 15.6 1.0 O1 A:AKG400 4.0 15.5 1.0 NH2 A:ARG210 4.2 14.2 1.0 ND1 A:HIS131 4.2 10.6 1.0 O A:HOH655 4.2 13.4 1.0 ND1 A:HIS187 4.2 11.0 1.0 CG A:HIS187 4.3 9.9 1.0 CG A:HIS131 4.3 10.9 1.0 C3 A:AKG400 4.4 9.8 1.0 CB A:ASP133 4.4 12.3 1.0 C20 B:ME6502 4.6 15.8 1.0 CZ2 A:TRP178 4.6 16.5 1.0 N3 B:ME6502 4.9 14.0 1.0 CA A:ASP133 4.9 12.2 1.0 N A:ASP133 4.9 13.1 1.0 C4 A:AKG400 5.0 11.3 1.0

B.Yu, J.F.Hunt. Enzymological and Structural Studies of the Mechanism of Promiscuous Substrate Recognition By the Oxidative Dna Repair Enzyme Alkb. Proc.Natl.Acad.Sci.Usa V. 106 14315 2009.
ISSN: ISSN 0027-8424
PubMed: 19706517
DOI: 10.1073/PNAS.0812938106