Zinc in PDB 6aej: Crystal Structure of Human Fto in Complex with Small-Molecule Inhibitors

The structure of Crystal Structure of Human Fto in Complex with Small-Molecule Inhibitors, PDB code: 6aej was solved by Y.Wang, R.Cao, S.Peng, W.Zhang, N.Huang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.80
Space group	H 3
Cell size a, b, c (Å), α, β, γ (°)	142.057, 142.057, 84.672, 90.00, 90.00, 120.00
R / Rfree (%)	20.7 / 22.2

The binding sites of Zinc atom in the Crystal Structure of Human Fto in Complex with Small-Molecule Inhibitors (pdb code 6aej). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total only one binding site of Zinc was determined in the Crystal Structure of Human Fto in Complex with Small-Molecule Inhibitors, PDB code: 6aej:

Zinc binding site 1 out of 1 in the Crystal Structure of Human Fto in Complex with Small-Molecule Inhibitors


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of Human Fto in Complex with Small-Molecule Inhibitors within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn602 b:74.3 occ:1.00 N11 A:7YC601 1.7 0.8 1.0 OD1 A:ASP233 2.0 73.0 1.0 C10 A:7YC601 2.2 0.5 1.0 NE2 A:HIS307 2.2 60.1 1.0 NE2 A:HIS231 2.4 50.9 1.0 CG A:ASP233 2.7 66.4 1.0 OD2 A:ASP233 2.8 60.5 1.0 CE1 A:HIS231 3.0 50.9 1.0 CE1 A:HIS307 3.1 56.2 1.0 C08 A:7YC601 3.1 0.3 1.0 CD2 A:HIS307 3.2 56.6 1.0 CD2 A:HIS231 3.5 50.1 1.0 C05 A:7YC601 3.8 0.4 1.0 C07 A:7YC601 3.8 0.6 1.0 C23 A:7YC601 3.8 0.6 1.0 NH2 A:ARG322 4.0 79.6 1.0 CB A:ASP233 4.1 58.7 1.0 C04 A:7YC601 4.1 0.5 1.0 C09 A:7YC601 4.2 0.5 1.0 C06 A:7YC601 4.2 0.4 1.0 ND1 A:HIS307 4.2 56.0 1.0 ND1 A:HIS231 4.2 52.9 1.0 CG A:HIS307 4.3 55.1 1.0 N12 A:7YC601 4.3 0.7 1.0 C22 A:7YC601 4.4 0.4 1.0 CG A:HIS231 4.5 48.6 1.0 N A:ASP233 4.6 53.9 1.0 CA A:ASP233 4.6 58.2 1.0 C03 A:7YC601 4.8 0.7 1.0 C01 A:7YC601 4.8 0.1 1.0

S.Peng, W.Xiao, D.Ju, B.Sun, N.Hou, Q.Liu, Y.Wang, H.Zhao, C.Gao, S.Zhang, R.Cao, P.Li, H.Huang, Y.Ma, Y.Wang, W.Lai, Z.Ma, W.Zhang, S.Huang, H.Wang, Z.Zhang, L.Zhao, T.Cai, Y.L.Zhao, F.Wang, Y.Nie, G.Zhi, Y.G.Yang, E.E.Zhang, N.Huang. Identification of Entacapone As A Chemical Inhibitor of Fto Mediating Metabolic Regulation Through FOXO1. Sci Transl Med V. 11 2019.
ISSN: ESSN 1946-6242
PubMed: 30996080
DOI: 10.1126/SCITRANSLMED.AAU7116