Chlorine in PDB 6jpe: Crystal Structure of FGFR4 Kinase Domain with Irreversible Inhibitor 1

All present enzymatic activity of Crystal Structure of FGFR4 Kinase Domain with Irreversible Inhibitor 1:
2.7.10.1;

The structure of Crystal Structure of FGFR4 Kinase Domain with Irreversible Inhibitor 1, PDB code: 6jpe was solved by X.Chen, S.Dai, Z.Zhou, Y.Chen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	31.89 / 1.60
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	42.502, 61.126, 61.412, 90.00, 99.10, 90.00
R / Rfree (%)	15.2 / 18.3

The binding sites of Chlorine atom in the Crystal Structure of FGFR4 Kinase Domain with Irreversible Inhibitor 1 (pdb code 6jpe). 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 with Irreversible Inhibitor 1, PDB code: 6jpe:
Jump to Chlorine binding site number: 1; 2;

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


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 with Irreversible Inhibitor 1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl801 b:17.4 occ:1.00 CLH A:BYU801 0.0 17.4 1.0 CAZ A:BYU801 1.7 11.1 1.0 CBE A:BYU801 2.7 13.3 1.0 CBA A:BYU801 2.7 10.4 1.0 OBI A:BYU801 2.8 13.9 1.0 NBF A:BYU801 3.0 12.1 1.0 CG1 A:VAL481 3.4 14.6 1.0 NAB A:BYU801 3.5 15.2 1.0 CAC A:BYU801 3.5 11.6 1.0 CG2 A:VAL481 3.6 14.3 1.0 CB A:LYS503 3.7 11.4 1.0 CG2 A:VAL550 3.8 10.1 1.0 CBD A:BYU801 3.9 12.2 1.0 CBB A:BYU801 4.0 11.4 1.0 N A:LYS503 4.0 11.5 1.0 CB A:VAL481 4.1 14.9 1.0 CE A:LYS503 4.1 19.3 1.0 CB A:ALA501 4.2 11.8 1.0 CBJ A:BYU801 4.2 16.3 1.0 CA A:LYS503 4.3 13.1 1.0 O A:HOH1025 4.3 18.5 1.0 C A:VAL502 4.4 13.4 1.0 CBC A:BYU801 4.4 11.7 1.0 C A:ALA501 4.5 11.0 1.0 O A:ALA501 4.5 13.1 1.0 CAA A:BYU801 4.6 16.1 1.0 N A:VAL502 4.6 11.2 1.0 CAD A:BYU801 4.6 11.6 1.0 CG A:LYS503 4.7 12.4 1.0 CD A:LYS503 4.8 17.1 1.0 CG1 A:VAL550 4.8 10.4 1.0 O A:VAL502 4.9 13.7 1.0 CA A:VAL502 4.9 11.5 1.0 O A:VAL548 4.9 13.4 1.0 CB A:VAL550 5.0 10.2 1.0

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


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 with Irreversible Inhibitor 1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl801 b:17.1 occ:1.00 CLG A:BYU801 0.0 17.1 1.0 CBD A:BYU801 1.7 12.2 1.0 CBE A:BYU801 2.7 13.3 1.0 CBC A:BYU801 2.7 11.7 1.0 OBK A:BYU801 2.8 16.0 1.0 NBF A:BYU801 2.9 12.1 1.0 CB A:ALA629 3.4 12.1 1.0 CAC A:BYU801 3.6 11.6 1.0 CA A:ALA629 3.8 9.7 1.0 N3 A:BYU801 3.8 11.7 1.0 CD1 A:LEU619 3.9 11.7 1.0 CG1 A:ILE534 3.9 10.0 1.0 CG2 A:ILE534 3.9 10.6 1.0 OD1 A:ASP630 3.9 20.2 1.0 CAZ A:BYU801 3.9 11.1 1.0 CBB A:BYU801 4.0 11.4 1.0 N A:ASP630 4.0 11.9 1.0 CBL A:BYU801 4.0 17.0 1.0 CB A:ILE534 4.1 9.9 1.0 NAB A:BYU801 4.2 15.2 1.0 CAD A:BYU801 4.3 11.6 1.0 CG A:ASP630 4.3 19.9 1.0 C4 A:BYU801 4.4 11.1 1.0 C A:ALA629 4.4 12.5 1.0 CBA A:BYU801 4.5 10.4 1.0 C2 A:BYU801 4.5 11.1 1.0 OD2 A:ASP630 4.7 25.7 1.0 CD1 A:ILE534 4.7 11.9 1.0 O A:HOH1025 4.8 18.5 1.0 CG A:LEU619 4.9 11.2 1.0 CA A:ASP630 4.9 12.4 1.0

M.Renata, Y.Fu, X.Chen, P.John, Y.Chen, C.Zhang. Development and Preclinical Characterization of Exquisitely Specific FGFR4 Inhibitors To Be Published.