Chlorine in PDB 7bhv: Crystal Structure of MAT2A Bound to Allosteric Inhibitor and in Vivo Tool Compound 28

All present enzymatic activity of Crystal Structure of MAT2A Bound to Allosteric Inhibitor and in Vivo Tool Compound 28:
2.5.1.6;

The structure of Crystal Structure of MAT2A Bound to Allosteric Inhibitor and in Vivo Tool Compound 28, PDB code: 7bhv was solved by M.Schimpl, C.De Fusco, U.Borjesson, T.Cheung, I.Collie, L.Evans, P.Narasimhan, C.Stubbs, M.Vazquez-Chantada, D.J.Wagner, M.Grondine, S.Tentarelli, E.Underwood, A.Argyrou, S.Bagal, E.Chiarparin, G.Robb, J.S.Scott, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	16.93 / 1.16
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	68.176, 93.853, 117.069, 90, 90, 90
R / Rfree (%)	14.9 / 15.7

The binding sites of Chlorine atom in the Crystal Structure of MAT2A Bound to Allosteric Inhibitor and in Vivo Tool Compound 28 (pdb code 7bhv). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Crystal Structure of MAT2A Bound to Allosteric Inhibitor and in Vivo Tool Compound 28, PDB code: 7bhv:

Chlorine binding site 1 out of 1 in the Crystal Structure of MAT2A Bound to Allosteric Inhibitor and in Vivo Tool Compound 28


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 MAT2A Bound to Allosteric Inhibitor and in Vivo Tool Compound 28 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl401 b:9.5 occ:1.00 CL A:TQB401 0.0 9.5 1.0 C12 A:TQB401 1.7 8.8 1.0 C11 A:TQB401 2.7 8.7 1.0 C13 A:TQB401 2.7 9.6 1.0 C14 A:TQB401 4.0 9.3 1.0 C10 A:TQB401 4.0 8.2 1.0 C15 A:TQB401 4.5 8.2 1.0 CE2 A:PHE20 4.6 9.2 1.0 CD2 A:PHE20 4.9 8.9 1.0

C.De Fusco, M.Schimpl, C.De Fusco, U.Borjesson, T.Cheung, I.Collie, L.Evans, P.Narasimhan, C.Stubbs, M.Vazquez-Chantada, D.J.Wagner, M.Grondine, S.Tentarelli, E.Underwood, A.Argyrou, S.Bagal, E.Chiarparin, G.Robb, J.S.Scott. N/A N/A.
ISSN: ISSN 0022-2623
DOI: 10.1021/ACS.JMEDCHEM.1C00067