Chlorine 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:

Manganese

(Mn)

1 atom

The binding sites of Chlorine 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 Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Fto Bound to A Selective Inhibitor, PDB code: 4qkn:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Fto Bound to A Selective Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl 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:Cl602 b:89.1 occ:1.00 CL1 A:JMS602 0.0 89.1 1.0 C2B A:JMS602 1.8 71.6 1.0 C3B A:JMS602 2.7 67.4 1.0 C1B A:JMS602 2.8 74.0 1.0 C7B A:JMS602 2.9 64.8 1.0 N A:JMS602 3.1 70.7 1.0 C2 A:JMS602 3.4 76.1 1.0 CB A:SER229 3.6 52.1 1.0 C1 A:JMS602 3.9 78.6 1.0 C3 A:JMS602 4.0 66.7 1.0 C4B A:JMS602 4.0 60.4 1.0 C6B A:JMS602 4.1 69.6 1.0 C7 A:JMS602 4.2 80.3 1.0 OXT A:JMS602 4.2 76.8 1.0 O A:SER229 4.4 46.5 1.0 CA A:SER229 4.5 42.2 1.0 N A:SER229 4.5 45.2 1.0 O A:TRP230 4.6 48.4 1.0 C5B A:JMS602 4.6 57.1 1.0 OG A:SER229 4.6 58.8 1.0 C A:SER229 4.6 36.5 1.0 CD1 A:ILE85 4.7 75.3 1.0 C6 A:JMS602 4.9 67.5 1.0 C4 A:JMS602 4.9 68.0 1.0 OH A:JMS602 4.9 79.7 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Fto Bound to A Selective Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Fto Bound to A Selective Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl602 b:83.4 occ:1.00 CL2 A:JMS602 0.0 83.4 1.0 C6B A:JMS602 1.7 69.6 1.0 C5B A:JMS602 2.7 57.1 1.0 C1B A:JMS602 2.7 74.0 1.0 N A:JMS602 3.1 70.7 1.0 NH1 A:ARG96 3.3 57.7 1.0 CG1 A:VAL228 3.8 45.1 1.0 C2 A:JMS602 3.9 76.1 1.0 C3 A:JMS602 3.9 66.7 1.0 CG2 A:THR92 3.9 47.7 1.0 C4B A:JMS602 4.0 60.4 1.0 C2B A:JMS602 4.0 71.6 1.0 CZ A:ARG96 4.0 53.1 1.0 O1 A:GOL604 4.3 52.0 1.0 CB A:THR92 4.3 54.8 1.0 NH2 A:ARG96 4.3 50.9 1.0 CG2 A:VAL228 4.5 45.4 1.0 C3B A:JMS602 4.5 67.4 1.0 CG1 A:VAL94 4.6 45.5 1.0 CB A:VAL228 4.7 53.0 1.0 CE2 A:TYR108 4.8 53.5 1.0 C1 A:GOL604 4.9 51.5 1.0 NE A:ARG96 5.0 56.7 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