Manganese in PDB 7wcv: Co-Crystal Structure of Fto Bound to 6E

All present enzymatic activity of Co-Crystal Structure of Fto Bound to 6E:
1.14.11.53;

The structure of Co-Crystal Structure of Fto Bound to 6E, PDB code: 7wcv was solved by C.-G.Yang, J.H.Gan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.82 / 2.30
Space group	H 3
Cell size a, b, c (Å), α, β, γ (°)	141.759, 141.759, 83.74, 90, 90, 120
R / Rfree (%)	20.3 / 24.1

The structure of Co-Crystal Structure of Fto Bound to 6E also contains other interesting chemical elements:

Chlorine

(Cl)

2 atoms

The binding sites of Manganese atom in the Co-Crystal Structure of Fto Bound to 6E (pdb code 7wcv). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total only one binding site of Manganese was determined in the Co-Crystal Structure of Fto Bound to 6E, PDB code: 7wcv:

Manganese binding site 1 out of 1 in the Co-Crystal Structure of Fto Bound to 6E


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Co-Crystal Structure of Fto Bound to 6E within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn602 b:103.9 occ:1.00 NE2 A:HIS307 2.6 55.0 1.0 C2 A:AKG601 2.6 101.1 1.0 NE2 A:HIS231 2.7 47.0 1.0 C3 A:AKG601 2.7 95.0 1.0 C1 A:AKG601 2.8 102.9 1.0 OD1 A:ASP233 2.8 68.3 1.0 O A:HOH702 2.9 67.4 1.0 O2 A:AKG601 2.9 101.7 1.0 O5 A:AKG601 3.2 101.5 1.0 CE1 A:HIS231 3.2 50.5 1.0 C4 A:AKG601 3.3 90.5 1.0 CE1 A:HIS307 3.4 58.1 1.0 O1 A:AKG601 3.5 103.2 1.0 CD2 A:HIS307 3.6 54.2 1.0 CG A:ASP233 3.6 64.5 1.0 OD2 A:ASP233 3.6 72.1 1.0 CD2 A:HIS231 3.9 48.0 1.0 NH2 A:ARG322 4.2 62.7 1.0 ND1 A:HIS231 4.5 52.3 1.0 ND1 A:HIS307 4.6 54.9 1.0 CG A:HIS307 4.7 53.9 1.0 C5 A:AKG601 4.8 86.8 1.0 CG A:HIS231 4.8 50.7 1.0 C06 A:943603 5.0 65.7 1.0

Z.Liu, Z.Duan, D.Zhang, P.Xiao, T.Zhang, H.Xu, C.H.Wang, G.W.Rao, J.Gan, Y.Huang, C.G.Yang, Z.Dong. Structure-Activity Relationships and Antileukemia Effects of the Tricyclic Benzoic Acid Fto Inhibitors. J.Med.Chem. V. 65 10638 2022.
ISSN: ISSN 0022-2623
PubMed: 35793358
DOI: 10.1021/ACS.JMEDCHEM.2C00848