Fluorine in PDB 6sdd: Crystal Structure of D1228V Cmet Bound By Bms-777607

All present enzymatic activity of Crystal Structure of D1228V Cmet Bound By Bms-777607:
2.7.10.1;

The structure of Crystal Structure of D1228V Cmet Bound By Bms-777607, PDB code: 6sdd was solved by G.W.Collie, C.Phillips, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	23.30 / 1.93
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	57.956, 67.814, 90.047, 90.00, 90.00, 90.00
R / Rfree (%)	21 / 23

The structure of Crystal Structure of D1228V Cmet Bound By Bms-777607 also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Fluorine atom in the Crystal Structure of D1228V Cmet Bound By Bms-777607 (pdb code 6sdd). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Crystal Structure of D1228V Cmet Bound By Bms-777607, PDB code: 6sdd:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Crystal Structure of D1228V Cmet Bound By Bms-777607


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of D1228V Cmet Bound By Bms-777607 within 5.0Å range: probe atom residue distance (Å) B Occ A:F1401 b:32.6 occ:1.00 F34 A:3531401 0.0 32.6 1.0 C14 A:3531401 1.4 29.8 1.0 C6 A:3531401 2.3 28.7 1.0 C5 A:3531401 2.3 29.8 1.0 CD1 A:LEU1195 3.2 28.8 1.0 C2 A:3531401 3.6 27.2 1.0 C1 A:3531401 3.6 27.9 1.0 CG1 A:VAL1220 3.7 21.8 1.0 CD2 A:HIS1202 3.8 28.0 1.0 O A:VAL1220 3.8 24.5 1.0 CD2 A:LEU1195 4.0 31.6 1.0 CE2 A:PHE1200 4.0 33.8 1.0 CG1 A:VAL1139 4.0 24.8 1.0 C10 A:3531401 4.1 27.9 1.0 C A:VAL1220 4.1 23.9 1.0 NE2 A:HIS1202 4.2 27.9 1.0 CG A:LEU1195 4.2 29.5 1.0 CE2 A:PHE1134 4.3 34.8 1.0 CB A:VAL1220 4.4 22.2 1.0 N A:ALA1221 4.4 20.5 1.0 CA A:ALA1221 4.5 20.7 1.0 CZ A:PHE1200 4.7 31.8 1.0 CD2 A:PHE1200 4.7 31.9 1.0 CD2 A:PHE1134 4.9 32.3 1.0 C A:ALA1221 4.9 25.0 1.0 CG A:HIS1202 4.9 26.9 1.0 CA A:VAL1220 4.9 19.1 1.0 O A:ALA1221 5.0 23.9 1.0 CZ A:PHE1134 5.0 32.7 1.0

Fluorine binding site 2 out of 2 in the Crystal Structure of D1228V Cmet Bound By Bms-777607


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Crystal Structure of D1228V Cmet Bound By Bms-777607 within 5.0Å range: probe atom residue distance (Å) B Occ A:F1401 b:34.1 occ:1.00 F35 A:3531401 0.0 34.1 1.0 C15 A:3531401 1.4 30.4 1.0 C12 A:3531401 2.3 28.0 1.0 C8 A:3531401 2.4 29.5 1.0 O32 A:3531401 2.7 26.8 1.0 CB A:LYS1110 3.5 33.1 1.0 C13 A:3531401 3.6 27.7 1.0 C4 A:3531401 3.6 27.6 1.0 C11 A:3531401 3.6 27.8 1.0 CG2 A:VAL1092 3.7 43.3 1.0 CD2 A:LEU1157 3.8 29.4 1.0 CG1 A:VAL1092 3.8 42.9 1.0 CD A:LYS1110 3.8 47.3 1.0 C7 A:3531401 3.9 27.6 1.0 CG A:LYS1110 4.0 40.8 1.0 C3 A:3531401 4.1 27.1 1.0 CB A:VAL1092 4.4 43.5 1.0 CG A:LEU1157 4.5 28.4 1.0 CA A:LYS1110 4.5 30.7 1.0 N A:LYS1110 4.6 30.2 1.0 CE1 A:PHE1223 4.7 29.8 1.0 C16 A:3531401 4.7 33.0 1.0 CD1 A:PHE1223 4.8 29.2 1.0 N29 A:3531401 4.9 27.0 1.0 CB A:ALA1108 4.9 30.8 1.0 CE A:LYS1110 5.0 51.8 1.0

G.W.Collie, C.M.Koh, D.J.O'neill, C.J.Stubbs, P.Khurana, A.Eddershaw, A.Snijder, F.Mauritzson, L.Barlind, I.L.Dale, J.Shaw, C.Phillips, E.J.Hennessy, T.Cheung, A.J.Narvaez. Structural and Molecular Insight Into Resistance Mechanisms of First Generation Cmet Inhibitors. Acs Med.Chem.Lett. V. 10 1322 2019.
ISSN: ISSN 1948-5875
PubMed: 31531204
DOI: 10.1021/ACSMEDCHEMLETT.9B00276