Manganese in PDB 4qkn: Crystal Structure of Fto Bound to A Selective Inhibitor

The structure of Crystal Structure of Fto Bound to A Selective Inhibitor, PDB code: 4qkn was solved by C.-G.Yang, Y.Huang, J.Gan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	27.86 / 2.20
Space group	H 3
Cell size a, b, c (Å), α, β, γ (°)	141.260, 141.260, 83.580, 90.00, 90.00, 120.00
R / Rfree (%)	20.2 / 24.8

The structure of Crystal Structure of Fto Bound to A Selective Inhibitor also contains other interesting chemical elements:

Chlorine

(Cl)

2 atoms

The binding sites of Manganese atom in the Crystal Structure of Fto Bound to A Selective Inhibitor (pdb code 4qkn). 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 Crystal Structure of Fto Bound to A Selective Inhibitor, PDB code: 4qkn:

Manganese binding site 1 out of 1 in the Crystal Structure of Fto Bound to A Selective Inhibitor


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Crystal Structure of Fto Bound to A Selective Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn603 b:48.1 occ:1.00 O2' A:OGA601 1.9 47.8 1.0 OD1 A:ASP233 2.2 42.7 1.0 O A:HOH767 2.2 42.2 1.0 O2 A:OGA601 2.2 48.2 1.0 NE2 A:HIS231 2.3 36.5 1.0 NE2 A:HIS307 2.3 37.8 1.0 C2 A:OGA601 2.5 50.9 1.0 C1 A:OGA601 2.7 48.5 1.0 CE1 A:HIS231 3.0 33.5 1.0 CG A:ASP233 3.2 35.4 1.0 CE1 A:HIS307 3.3 37.6 1.0 CD2 A:HIS307 3.3 35.8 1.0 CD2 A:HIS231 3.5 39.1 1.0 OD2 A:ASP233 3.5 45.1 1.0 N1 A:OGA601 3.8 46.4 1.0 O A:HOH768 4.0 42.9 1.0 O1 A:OGA601 4.0 49.9 1.0 O1 A:GOL604 4.1 52.0 1.0 ND1 A:HIS231 4.2 38.1 1.0 C2 A:GOL604 4.2 57.2 1.0 O2 A:GOL604 4.2 49.2 1.0 NH2 A:ARG322 4.3 41.9 1.0 ND1 A:HIS307 4.4 33.3 1.0 CG A:HIS307 4.4 36.8 1.0 C4 A:OGA601 4.4 53.1 1.0 CG A:HIS231 4.4 45.1 1.0 CB A:ASP233 4.6 37.4 1.0 C1 A:GOL604 4.8 51.5 1.0 CA A:ASP233 4.9 33.0 1.0 N A:ASP233 4.9 32.3 1.0

Y.Huang, J.Yan, Q.Li, J.Li, S.Gong, H.Zhou, J.Gan, H.Jiang, G.Jia, C.Luo, C.-G.Yang. Meclofenamic Acid Selectively Inhibits Fto Demethylation of M6A Over ALKBH5 Nucleic Acids Res. 2014.
ISSN: ESSN 1362-4962
DOI: 10.1093/NAR/GKU1276