Nickel in PDB 4cxw: Crystal Structure of Human Fto in Complex with Subfamily-Selective Inhibitor 12

The structure of Crystal Structure of Human Fto in Complex with Subfamily-Selective Inhibitor 12, PDB code: 4cxw was solved by D.W.Toh, L.Sun, J.Tan, Y.Chen, L.Z.M.Lau, W.Hong, E.C.Y.Woon, Y.G.Gao, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.880 / 3.10
Space group	H 3
Cell size a, b, c (Å), α, β, γ (°)	141.613, 141.613, 83.812, 90.00, 90.00, 120.00
R / Rfree (%)	18.09 / 24.53

The binding sites of Nickel atom in the Crystal Structure of Human Fto in Complex with Subfamily-Selective Inhibitor 12 (pdb code 4cxw). This binding sites where shown within 5.0 Angstroms radius around Nickel atom.
In total only one binding site of Nickel was determined in the Crystal Structure of Human Fto in Complex with Subfamily-Selective Inhibitor 12, PDB code: 4cxw:

Nickel binding site 1 out of 1 in the Crystal Structure of Human Fto in Complex with Subfamily-Selective Inhibitor 12


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 1 of Crystal Structure of Human Fto in Complex with Subfamily-Selective Inhibitor 12 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ni1503 b:85.5 occ:1.00 OAB A:6MK1504 2.1 97.0 1.0 NAR A:6MK1504 2.1 87.0 1.0 NE2 A:HIS231 2.3 71.7 1.0 OD1 A:ASP233 2.4 79.1 1.0 NE2 A:HIS307 2.4 84.5 1.0 NAQ A:6MK1504 2.7 89.7 1.0 CAT A:6MK1504 2.7 88.6 1.0 O A:HOH2030 2.7 75.6 1.0 CE1 A:HIS231 2.9 70.0 1.0 CAU A:6MK1504 3.0 85.6 1.0 CE1 A:HIS307 3.0 79.8 1.0 CG A:ASP233 3.3 76.8 1.0 CD2 A:HIS231 3.5 77.3 1.0 OD2 A:ASP233 3.5 76.5 1.0 CD2 A:HIS307 3.6 78.0 1.0 CAX A:6MK1504 3.6 89.0 1.0 NH2 A:ARG322 3.7 83.9 1.0 OAC A:6MK1504 3.9 94.4 1.0 CAF A:6MK1504 4.1 78.2 1.0 ND1 A:HIS231 4.1 73.5 1.0 ND1 A:HIS307 4.2 73.6 1.0 CAW A:6MK1504 4.3 84.1 1.0 CAN A:6MK1504 4.3 83.2 1.0 CAO A:6MK1504 4.3 77.1 1.0 CG A:HIS231 4.4 71.7 1.0 CG A:HIS307 4.5 72.5 1.0 CAE A:6MK1504 4.7 79.0 1.0 CB A:ASP233 4.7 77.5 1.0 CZ A:ARG322 5.0 78.0 1.0

J.D.W.Toh, L.Sun, L.Z.M.Lau, J.Tan, J.J.A.Low, W.Qiang, C.W.Q.Tang, J.Yi, E.J.Y.Cheong, M.J.H.Tan, Y.Chen, W.Hong, Y.G.Gao, E.C.Y.Woon. A Strategy Based on Nucleotide Specificity Leads to Subfamily-Selective and Cell-Active Inhibitor of N6-Methyladenosine Demethylase Fto Chem.Sci. 2014.
ISSN: ESSN 2041-6539
DOI: 10.1039/C4SC02554G