Chlorine in PDB 5hlw: Crystal Structure of C-Met Mutant Y1230H in Complex with Compound 14

All present enzymatic activity of Crystal Structure of C-Met Mutant Y1230H in Complex with Compound 14:
2.7.10.1;

The structure of Crystal Structure of C-Met Mutant Y1230H in Complex with Compound 14, PDB code: 5hlw was solved by F.Vallee, S.Pouzieux, J.P.Marquette, J.Houtmann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.84 / 1.97
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	43.320, 46.690, 156.960, 90.00, 90.00, 90.00
R / Rfree (%)	n/a / n/a

The binding sites of Chlorine atom in the Crystal Structure of C-Met Mutant Y1230H in Complex with Compound 14 (pdb code 5hlw). 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 C-Met Mutant Y1230H in Complex with Compound 14, PDB code: 5hlw:

Chlorine binding site 1 out of 1 in the Crystal Structure of C-Met Mutant Y1230H in Complex with Compound 14


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 C-Met Mutant Y1230H in Complex with Compound 14 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1401 b:19.6 occ:1.00 O A:HOH1583 3.2 20.2 1.0 N A:HIS1348 3.3 25.3 1.0 N A:GLY1346 3.3 25.4 1.0 N A:LYS1179 3.4 18.1 1.0 CA A:GLY1346 3.4 26.1 1.0 N A:GLU1347 3.5 26.0 1.0 CB A:HIS1348 3.6 25.6 1.0 N A:VAL1178 3.8 17.6 1.0 C A:GLY1346 3.8 30.9 1.0 CB A:VAL1178 3.8 19.8 1.0 CB A:LYS1179 3.8 19.4 1.0 CA A:HIS1348 3.9 24.9 1.0 CD2 A:PHE1344 3.9 18.7 1.0 CB A:PHE1344 3.9 17.6 1.0 CB A:THR1177 3.9 23.4 1.0 O A:HIS1348 4.0 21.7 1.0 CD2 A:HIS1348 4.1 32.2 1.0 CA A:VAL1178 4.1 17.7 1.0 CA A:LYS1179 4.2 17.5 1.0 OG1 A:THR1177 4.2 20.9 1.0 CG A:HIS1348 4.2 29.9 1.0 C A:VAL1178 4.2 20.2 1.0 C A:GLU1347 4.3 29.5 1.0 CG A:PHE1344 4.3 18.3 1.0 C A:HIS1348 4.3 25.2 1.0 N A:ILE1345 4.4 23.2 1.0 CA A:GLU1347 4.5 26.8 1.0 C A:ILE1345 4.6 29.2 1.0 C A:THR1177 4.6 19.1 1.0 CG2 A:VAL1178 4.6 18.8 1.0 CG1 A:VAL1178 4.7 18.3 1.0 CA A:PHE1344 4.8 18.0 1.0 CA A:THR1177 4.8 17.7 1.0 O A:GLY1346 4.9 31.5 1.0 CG2 A:THR1177 4.9 22.2 1.0 C A:PHE1344 4.9 25.0 1.0 CE2 A:PHE1344 4.9 21.0 1.0

A.Ugolini, M.Kenigsberg, A.Rak, F.Vallee, J.Houtmann, M.Lowinski, C.Capdevila, J.Khider, E.Albert, N.Martinet, C.Nemecek, S.Grapinet, E.Bacque, M.Roesner, C.Delaisi, L.Calvet, F.Bonche, D.Semiond, C.Egile, H.Goulaouic, L.Schio. Discovery and Pharmacokinetic and Pharmacological Properties of the Potent and Selective Met Kinase Inhibitor 1-{6-[6-(4-Fluorophenyl)-[1,2,4]Triazolo[4, 3-B]Pyridazin-3-Ylsulfanyl]Benzothiazol-2-Yl}-3-(2-Morpholin -4-Ylethyl)Urea (SAR125844). J.Med.Chem. V. 59 7066 2016.
ISSN: ISSN 0022-2623
PubMed: 27355974
DOI: 10.1021/ACS.JMEDCHEM.6B00280