Fluorine in PDB 6sd9: Crystal Structure of Wild-Type Cmet Bound By Foretinib

All present enzymatic activity of Crystal Structure of Wild-Type Cmet Bound By Foretinib:
2.7.10.1;

The structure of Crystal Structure of Wild-Type Cmet Bound By Foretinib, PDB code: 6sd9 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)	28.70 / 2.35
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	41.880, 73.730, 91.470, 90.00, 90.00, 90.00
R / Rfree (%)	21 / 27

The structure of Crystal Structure of Wild-Type Cmet Bound By Foretinib also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Fluorine atom in the Crystal Structure of Wild-Type Cmet Bound By Foretinib (pdb code 6sd9). 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 Wild-Type Cmet Bound By Foretinib, PDB code: 6sd9:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Crystal Structure of Wild-Type Cmet Bound By Foretinib


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 Wild-Type Cmet Bound By Foretinib within 5.0Å range: probe atom residue distance (Å) B Occ A:F1402 b:42.3 occ:1.00 F21 A:88Z1402 0.0 42.3 1.0 C20 A:88Z1402 1.3 39.3 1.0 C19 A:88Z1402 2.3 37.3 1.0 C15 A:88Z1402 2.3 38.6 1.0 O14 A:88Z1402 2.7 35.1 1.0 CG2 A:VAL1092 3.2 52.9 1.0 CG1 A:VAL1092 3.4 52.7 1.0 C10 A:88Z1402 3.5 33.5 1.0 C18 A:88Z1402 3.6 39.0 1.0 C16 A:88Z1402 3.6 41.5 1.0 C9 A:88Z1402 3.7 30.0 1.0 CG A:LYS1110 4.0 41.4 1.0 CB A:VAL1092 4.0 53.1 1.0 CB A:LYS1110 4.0 35.3 1.0 CD2 A:LEU1157 4.0 43.6 1.0 C17 A:88Z1402 4.1 42.6 1.0 CD A:LYS1110 4.5 45.3 1.0 C5 A:88Z1402 4.6 32.2 1.0 CA A:LYS1110 4.7 33.6 1.0 N22 A:88Z1402 4.8 38.7 1.0 CG A:LEU1157 4.8 41.4 1.0 CE2 A:PHE1223 4.8 47.8 1.0 O36 A:88Z1402 4.9 46.2 1.0 CB A:ALA1108 4.9 36.2 1.0 CD2 A:PHE1223 4.9 45.4 1.0 C8 A:88Z1402 5.0 33.7 1.0

Fluorine binding site 2 out of 2 in the Crystal Structure of Wild-Type Cmet Bound By Foretinib


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 Wild-Type Cmet Bound By Foretinib within 5.0Å range: probe atom residue distance (Å) B Occ A:F1402 b:43.5 occ:1.00 F44 A:88Z1402 0.0 43.5 1.0 C41 A:88Z1402 1.4 41.4 1.0 C42 A:88Z1402 2.3 41.2 1.0 C40 A:88Z1402 2.3 42.0 1.0 CD1 A:LEU1195 3.1 32.1 1.0 C43 A:88Z1402 3.6 40.6 1.0 C39 A:88Z1402 3.6 39.8 1.0 O A:VAL1220 3.6 33.0 1.0 CG1 A:VAL1220 3.7 29.0 1.0 CG1 A:VAL1139 3.8 34.3 1.0 CD2 A:LEU1195 3.8 32.8 1.0 CD2 A:HIS1202 3.8 35.0 1.0 C A:VAL1220 4.0 31.7 1.0 CG A:LEU1195 4.1 33.2 1.0 C38 A:88Z1402 4.1 38.1 1.0 CE2 A:PHE1134 4.1 49.1 1.0 NE2 A:HIS1202 4.2 34.9 1.0 CE2 A:PHE1200 4.2 36.3 1.0 CB A:VAL1220 4.4 28.6 1.0 CD2 A:PHE1134 4.4 46.6 1.0 N A:ALA1221 4.5 28.4 1.0 CA A:ALA1221 4.5 29.3 1.0 CD2 A:PHE1200 4.7 34.6 1.0 CB A:VAL1139 4.8 35.2 1.0 CZ A:PHE1134 4.9 46.9 1.0 CA A:VAL1220 4.9 25.9 1.0 C A:ALA1221 4.9 35.4 1.0 CG2 A:VAL1139 4.9 34.9 1.0 CG A:HIS1202 4.9 34.1 1.0 CZ A:PHE1200 5.0 34.5 1.0 O A:ALA1221 5.0 34.4 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