Chlorine in PDB 6v9c: Crystal Structure of FGFR4 Kinase Domain in Complex with Covalent Inhibitor

All present enzymatic activity of Crystal Structure of FGFR4 Kinase Domain in Complex with Covalent Inhibitor:
2.7.10.1;

The structure of Crystal Structure of FGFR4 Kinase Domain in Complex with Covalent Inhibitor, PDB code: 6v9c was solved by J.Liu, H.Liu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.02 / 1.90
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	44.067, 58.670, 60.747, 90.00, 97.57, 90.00
R / Rfree (%)	19.9 / 22.7

The binding sites of Chlorine atom in the Crystal Structure of FGFR4 Kinase Domain in Complex with Covalent Inhibitor (pdb code 6v9c). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of FGFR4 Kinase Domain in Complex with Covalent Inhibitor, PDB code: 6v9c:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of FGFR4 Kinase Domain in Complex with Covalent Inhibitor


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 FGFR4 Kinase Domain in Complex with Covalent Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl801 b:27.9 occ:1.00 CLAS A:QS7801 0.0 27.9 1.0 CAN A:QS7801 1.7 26.8 1.0 CAO A:QS7801 2.7 28.4 1.0 CAK A:QS7801 2.7 25.8 1.0 OAU A:QS7801 2.9 28.7 1.0 CAI A:QS7801 3.0 23.3 1.0 CAH A:QS7801 3.4 24.6 1.0 OAQ A:QS7801 3.4 27.4 1.0 CG1 A:VAL481 3.5 31.9 1.0 CG2 A:VAL550 3.6 24.8 1.0 CG2 A:VAL481 3.7 33.1 1.0 CAJ A:QS7801 3.8 22.8 1.0 CB A:LYS503 3.9 28.7 1.0 CAP A:QS7801 4.0 25.4 1.0 CAM A:QS7801 4.0 29.6 1.0 CB A:ALA501 4.1 25.7 1.0 N A:LYS503 4.1 26.4 1.0 CB A:VAL481 4.2 33.3 1.0 CAV A:QS7801 4.3 28.5 1.0 CA A:LYS503 4.4 26.6 1.0 CD A:LYS503 4.4 48.1 1.0 NAG A:QS7801 4.4 24.9 1.0 C A:VAL502 4.5 29.3 1.0 C A:ALA501 4.5 28.4 1.0 CG A:LYS503 4.5 40.3 1.0 CAL A:QS7801 4.5 30.5 1.0 O A:ALA501 4.6 28.3 1.0 O A:HOH947 4.6 42.6 1.0 N A:VAL502 4.7 24.0 1.0 C5 A:QS7801 4.7 22.6 1.0 CB A:VAL550 4.8 25.0 1.0 CG1 A:VAL550 4.8 24.8 1.0 O A:VAL502 4.9 28.1 1.0 CA A:ALA501 5.0 24.3 1.0 C4 A:QS7801 5.0 21.7 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of FGFR4 Kinase Domain in Complex with Covalent Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of FGFR4 Kinase Domain in Complex with Covalent Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl801 b:31.1 occ:1.00 CLAR A:QS7801 0.0 31.1 1.0 CAM A:QS7801 1.7 29.6 1.0 CAL A:QS7801 2.6 30.5 1.0 OAT A:QS7801 2.7 32.5 1.0 CAK A:QS7801 2.7 25.8 1.0 CAI A:QS7801 3.0 23.3 1.0 CAJ A:QS7801 3.3 22.8 1.0 CB A:ALA629 3.3 25.8 1.0 N A:ASP630 3.6 28.7 1.0 OD1 A:ASP630 3.7 52.2 1.0 CA A:ALA629 3.8 24.1 1.0 CAH A:QS7801 3.9 24.6 1.0 CG1 A:ILE534 3.9 24.9 1.0 CAP A:QS7801 3.9 25.4 1.0 CG2 A:ILE534 4.0 25.7 1.0 CD1 A:LEU619 4.0 27.0 1.0 CAN A:QS7801 4.0 26.8 1.0 CB A:ILE534 4.1 24.5 1.0 CAW A:QS7801 4.1 32.8 1.0 C A:ALA629 4.2 28.6 1.0 C5 A:QS7801 4.2 22.6 1.0 CG A:ASP630 4.2 49.8 1.0 OAQ A:QS7801 4.3 27.4 1.0 O A:HOH947 4.3 42.6 1.0 O A:HOH1043 4.4 57.5 1.0 CAO A:QS7801 4.5 28.4 1.0 CA A:ASP630 4.5 29.9 1.0 NAG A:QS7801 4.7 24.9 1.0 OD2 A:ASP630 4.7 53.2 1.0 C4 A:QS7801 4.8 21.7 1.0 CD1 A:ILE534 4.9 28.7 1.0 CB A:ASP630 4.9 33.0 1.0 C6 A:QS7801 5.0 20.7 1.0

J.Liu, H.Liu. Discovery of Selective, Covalent FGFR4 Inhibitors with Anti-Tumor Activity in Models of Hepato-Cellular Carcinoma To Be Published.