Chlorine in PDB 8kh9: Crystal Structure of FGFR4(V550M) Kinase Domain with 8Z

The structure of Crystal Structure of FGFR4(V550M) Kinase Domain with 8Z, PDB code: 8kh9 was solved by Q.M.Lin, X.J.Chen, Y.H.Chen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	36.88 / 1.42
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	42.398, 61.605, 60.605, 90, 97.93, 90
R / Rfree (%)	17 / 19.3

The binding sites of Chlorine atom in the Crystal Structure of FGFR4(V550M) Kinase Domain with 8Z (pdb code 8kh9). 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(V550M) Kinase Domain with 8Z, PDB code: 8kh9:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of FGFR4(V550M) Kinase Domain with 8Z


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(V550M) Kinase Domain with 8Z within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl903 b:28.8 occ:1.00 CL1 A:VVW903 0.0 28.8 1.0 C23 A:VVW903 1.7 25.7 1.0 C24 A:VVW903 2.7 29.2 1.0 C22 A:VVW903 2.7 27.0 1.0 O A:LEU473 3.0 22.4 1.0 C25 A:VVW903 3.0 39.5 1.0 C A:LEU473 3.4 20.3 1.0 O4 A:VVW903 3.6 15.9 1.0 C31 A:VVW903 3.7 32.5 1.0 CB A:LEU473 3.9 17.8 1.0 N A:GLY474 4.0 16.4 1.0 N6 A:VVW903 4.0 24.5 1.0 CA A:GLY474 4.0 19.9 1.0 C20 A:VVW903 4.0 32.9 1.0 C15 A:VVW903 4.1 16.0 1.0 CA A:LEU473 4.2 18.0 1.0 O3 A:VVW903 4.3 23.9 1.0 O A:HOH1224 4.5 35.8 1.0 C21 A:VVW903 4.5 23.6 1.0 C19 A:VVW903 4.6 14.2 1.0 C18 A:VVW903 4.7 19.8 1.0 CG A:LEU473 5.0 17.6 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of FGFR4(V550M) Kinase Domain with 8Z


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(V550M) Kinase Domain with 8Z within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl903 b:44.2 occ:1.00 CL2 A:VVW903 0.0 44.2 1.0 C20 A:VVW903 1.7 32.9 1.0 C21 A:VVW903 2.6 23.6 1.0 C24 A:VVW903 2.8 29.2 1.0 O3 A:VVW903 3.2 23.9 1.0 C25 A:VVW903 3.3 39.5 1.0 OD2 A:ASP630 3.6 24.1 1.0 C31 A:VVW903 3.6 32.5 1.0 C23 A:VVW903 4.0 25.7 1.0 N6 A:VVW903 4.0 24.5 1.0 CB A:ALA629 4.0 13.9 1.0 CG A:ASP630 4.1 19.9 1.0 NH1 A:ARG616 4.1 18.1 1.0 C18 A:VVW903 4.1 19.8 1.0 O A:HOH1233 4.2 38.3 1.0 CD2 A:LEU619 4.2 19.6 1.0 CD1 A:LEU619 4.3 17.8 1.0 OD1 A:ASP630 4.3 24.0 1.0 OD1 A:ASN617 4.4 12.8 1.0 C22 A:VVW903 4.5 27.0 1.0 O A:ARG616 4.7 12.3 1.0 CG A:LEU619 4.7 13.0 1.0 O A:HOH1147 4.8 39.8 1.0 C32 A:VVW903 4.8 25.8 1.0 C16 A:VVW903 4.9 16.8 1.0 C15 A:VVW903 4.9 16.0 1.0 CB A:ASP630 5.0 14.9 1.0

F.Yang, Q.Lin, X.Song, H.Huang, X.Chen, J.Tan, Y.Li, Y.Zhou, Z.Tu, H.Du, Z.M.Zhang, R.Ortega, X.Lin, A.V.Patterson, J.B.Smaill, Y.Chen, X.Lu. Discovery of 6-Formylpyridyl Urea Derivatives As Potent Reversible-Covalent Fibroblast Growth Factor Receptor 4 Inhibitors with Improved Anti-Hepatocellular Carcinoma Activity. J.Med.Chem. V. 67 2667 2024.
ISSN: ISSN 0022-2623
PubMed: 38348819
DOI: 10.1021/ACS.JMEDCHEM.3C01810