Fluorine in PDB 8k78: Crystal Structure of Cmet Kinase Domain Bound By Tpx-0022

All present enzymatic activity of Crystal Structure of Cmet Kinase Domain Bound By Tpx-0022:
2.7.10.1;

The structure of Crystal Structure of Cmet Kinase Domain Bound By Tpx-0022, PDB code: 8k78 was solved by L.Z.Qu, Y.H.Chen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.09 / 2.67
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	45.054, 66.625, 55.294, 90, 107, 90
R / Rfree (%)	23.9 / 29

The binding sites of Fluorine atom in the Crystal Structure of Cmet Kinase Domain Bound By Tpx-0022 (pdb code 8k78). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total only one binding site of Fluorine was determined in the Crystal Structure of Cmet Kinase Domain Bound By Tpx-0022, PDB code: 8k78:

Fluorine binding site 1 out of 1 in the Crystal Structure of Cmet Kinase Domain Bound By Tpx-0022


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 Cmet Kinase Domain Bound By Tpx-0022 within 5.0Å range: probe atom residue distance (Å) B Occ A:F1401 b:0.5 occ:1.00 F1 A:IYC1401 0.0 0.5 1.0 C6 A:IYC1401 1.4 0.5 1.0 C5 A:IYC1401 2.4 0.5 1.0 C1 A:IYC1401 2.4 0.5 1.0 C7 A:IYC1401 2.8 0.5 1.0 N1 A:IYC1401 3.5 0.5 1.0 CB A:ASP1222 3.5 17.8 1.0 O A:ASN1209 3.6 10.6 1.0 CA A:ASN1209 3.6 21.2 1.0 C4 A:IYC1401 3.6 0.5 1.0 N A:ASP1222 3.6 12.6 1.0 C2 A:IYC1401 3.7 0.5 1.0 O A:HOH1501 3.7 26.4 1.0 CB A:ALA1221 3.8 10.8 1.0 C A:ASN1209 3.8 23.4 1.0 O A:ARG1208 4.0 20.3 1.0 CA A:ASP1222 4.0 16.9 1.0 CE A:MET1211 4.0 19.8 1.0 OD2 A:ASP1222 4.1 28.0 1.0 C3 A:IYC1401 4.1 0.5 1.0 OD1 A:ASN1209 4.2 12.4 1.0 C A:ALA1221 4.2 7.5 1.0 CB A:ASN1209 4.3 19.7 1.0 CG A:ASP1222 4.3 31.5 1.0 CA A:ALA1221 4.6 11.5 1.0 CG A:ASN1209 4.6 20.6 1.0 N A:ASN1209 4.6 12.4 1.0 CE2 A:TYR1230 4.7 17.1 1.0 C A:ARG1208 4.7 22.1 1.0 CG A:MET1211 4.8 26.4 1.0 N A:CYS1210 4.8 22.5 1.0 CD2 A:TYR1230 4.9 14.8 1.0 O A:ALA1221 4.9 13.0 1.0 C8 A:IYC1401 4.9 0.5 1.0

L.Qu, H.Lin, S.Dai, M.Guo, X.Chen, L.Jiang, H.Zhang, M.Li, X.Liang, Z.Chen, H.Wei, Y.Chen. Structural Insight Into the Macrocyclic Inhibitor Tpx-0022 of C-Met and C-Src. Comput Struct Biotechnol J V. 21 5712 2023.
ISSN: ESSN 2001-0370
PubMed: 38074469
DOI: 10.1016/J.CSBJ.2023.11.028