Iron in PDB 2iuw: Crystal Structure of Human ABH3 in Complex with Iron Ion and 2- Oxoglutarate

The structure of Crystal Structure of Human ABH3 in Complex with Iron Ion and 2- Oxoglutarate, PDB code: 2iuw was solved by O.Sundheim, C.B.Vagbo, M.Bjoras, M.M.L.Desousa, V.Talstad, P.A.Aas, F.Drablos, H.E.Krokan, J.A.Tainer, G.Slupphaug, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.00 / 1.50
Space group	I 41
Cell size a, b, c (Å), α, β, γ (°)	119.955, 119.955, 40.554, 90.00, 90.00, 90.00
R / Rfree (%)	14.1 / 19.1

The binding sites of Iron atom in the Crystal Structure of Human ABH3 in Complex with Iron Ion and 2- Oxoglutarate (pdb code 2iuw). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 3 binding sites of Iron where determined in the Crystal Structure of Human ABH3 in Complex with Iron Ion and 2- Oxoglutarate, PDB code: 2iuw:
Jump to Iron binding site number: 1; 2; 3;

Iron binding site 1 out of 3 in the Crystal Structure of Human ABH3 in Complex with Iron Ion and 2- Oxoglutarate


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 Human ABH3 in Complex with Iron Ion and 2- Oxoglutarate within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe500 b:20.5 occ:1.00 O5 A:AKG700 2.1 26.1 1.0 NE2 A:HIS257 2.1 18.3 1.0 O1 A:AKG700 2.1 22.9 1.0 O A:HOH2150 2.2 24.0 1.0 NE2 A:HIS191 2.2 19.1 1.0 OD2 A:ASP193 2.2 20.7 1.0 C2 A:AKG700 2.8 25.0 1.0 C1 A:AKG700 2.8 26.0 1.0 CE1 A:HIS257 3.1 17.4 1.0 CD2 A:HIS257 3.1 16.2 1.0 CE1 A:HIS191 3.1 18.1 1.0 CG A:ASP193 3.2 18.9 1.0 CD2 A:HIS191 3.2 18.6 1.0 OD1 A:ASP193 3.3 20.1 1.0 O2 A:AKG700 4.0 39.7 1.0 O A:HOH2225 4.0 47.2 1.0 NH2 A:ARG275 4.2 18.3 1.0 ND1 A:HIS257 4.2 15.0 1.0 ND1 A:HIS191 4.2 15.2 1.0 CG A:HIS257 4.2 14.6 1.0 CG A:HIS191 4.3 16.3 1.0 C3 A:AKG700 4.3 23.4 1.0 O A:HOH2218 4.4 19.1 1.0 CB A:ASP193 4.5 15.6 1.0 C4 A:AKG700 4.9 19.7 1.0 N A:ASP193 5.0 14.8 1.0

Iron binding site 2 out of 3 in the Crystal Structure of Human ABH3 in Complex with Iron Ion and 2- Oxoglutarate


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Structure of Human ABH3 in Complex with Iron Ion and 2- Oxoglutarate within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe501 b:35.1 occ:1.00 O A:HOH2006 2.9 38.5 1.0 N A:GLU75 3.1 14.6 1.0 O A:HOH2008 3.2 45.6 1.0 NE A:ARG74 3.2 15.9 1.0 CA A:ARG74 3.6 15.8 1.0 CB A:GLU75 3.9 15.0 1.0 CD A:ARG74 3.9 16.5 1.0 C A:ARG74 3.9 14.5 1.0 CB A:ARG74 4.0 14.5 1.0 CA A:GLU75 4.1 13.7 1.0 NH2 A:ARG74 4.2 18.2 1.0 CZ A:ARG74 4.2 15.7 1.0 CG A:PRO94 4.3 16.9 1.0 O A:ASP73 4.5 18.4 1.0 CG A:ARG74 4.6 17.2 1.0 CD A:PRO94 4.8 14.4 1.0 N A:ARG74 4.9 14.8 1.0 CB A:PRO94 5.0 16.1 1.0

Iron binding site 3 out of 3 in the Crystal Structure of Human ABH3 in Complex with Iron Ion and 2- Oxoglutarate


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Crystal Structure of Human ABH3 in Complex with Iron Ion and 2- Oxoglutarate within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe502 b:48.6 occ:1.00 OG A:SER81 2.5 14.0 1.0 O A:GLY86 2.6 16.5 1.0 OD2 A:ASP254 2.7 16.7 1.0 OG A:SER88 2.8 12.2 1.0 O A:SER83 3.4 21.8 1.0 CB A:SER81 3.6 14.7 1.0 CG A:ASP254 3.6 14.7 1.0 CB A:SER88 3.6 11.0 1.0 N A:SER83 3.6 19.3 1.0 O A:SER81 3.7 13.6 1.0 C A:SER81 3.7 14.2 1.0 N A:SER88 3.7 11.7 1.0 CB A:ASP254 3.7 14.4 1.0 CB A:ALA250 3.8 14.8 1.0 C A:SER83 3.8 21.4 1.0 C A:GLY86 3.9 13.4 1.0 N A:LEU82 4.0 16.0 1.0 C A:LEU82 4.1 18.0 1.0 CA A:SER83 4.2 22.1 1.0 CA A:SER81 4.2 14.0 1.0 CA A:SER88 4.2 11.6 1.0 C A:VAL87 4.3 13.2 1.0 CA A:LEU82 4.3 17.6 1.0 N A:GLY86 4.4 17.7 1.0 NE1 A:TRP255 4.5 12.3 1.0 N A:PRO84 4.6 20.8 1.0 CA A:VAL87 4.6 13.7 1.0 N A:THR85 4.6 20.2 1.0 N A:VAL87 4.7 13.4 1.0 O A:ALA250 4.7 13.9 1.0 OD1 A:ASP254 4.8 18.3 1.0 CD1 A:TRP255 4.8 11.9 1.0 CA A:GLY86 4.9 16.0 1.0 CE A:LYS219 4.9 25.4 1.0 O A:LEU82 4.9 21.8 1.0 N A:SER81 4.9 13.6 1.0 C A:ALA250 4.9 12.7 1.0 O A:VAL87 4.9 15.3 1.0 CA A:ALA250 5.0 11.1 1.0

O.Sundheim, C.B.Vagbo, M.Bjoras, M.M.L.Desousa, V.Talstad, P.A.Aas, F.Drablos, H.E.Krokan, J.A.Tainer, G.Slupphaug. Human ABH3 Structure and Key Residues For Oxidative Demethylation to Reverse Dna/Rna Damage. Embo J. V. 25 3389 2006.
ISSN: ISSN 0261-4189
PubMed: 16858410
DOI: 10.1038/SJ.EMBOJ.7601219