Chlorine in PDB 4xcu: Crystal Structure of FGFR4 with An Irreversible Inhibitor

All present enzymatic activity of Crystal Structure of FGFR4 with An Irreversible Inhibitor:
2.7.10.1;

The structure of Crystal Structure of FGFR4 with An Irreversible Inhibitor, PDB code: 4xcu was solved by J.L.Kim, C.Miduturu, B.Hodous, N.Brooijmans, N.Bifulco, T.Guzi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.51 / 1.71
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	39.100, 58.110, 58.670, 90.00, 94.42, 90.00
R / Rfree (%)	19.3 / 24.3

The binding sites of Chlorine atom in the Crystal Structure of FGFR4 with An Irreversible Inhibitor (pdb code 4xcu). 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 with An Irreversible Inhibitor, PDB code: 4xcu:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of FGFR4 with An Irreversible 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 with An Irreversible Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1002 b:25.3 occ:1.00 CL1 A:40M1002 0.0 25.3 1.0 C21 A:40M1002 1.8 22.9 1.0 C19 A:40M1002 2.6 21.5 1.0 O2 A:40M1002 2.7 25.2 1.0 C22 A:40M1002 2.8 17.7 1.0 CB A:ALA629 3.1 19.2 1.0 C14 A:40M1002 3.1 15.9 1.0 C13 A:40M1002 3.3 16.6 1.0 CA A:ALA629 3.6 16.5 1.0 CG1 A:ILE534 3.7 18.1 1.0 N A:ASP630 3.8 20.4 1.0 OD1 A:ASP630 3.8 34.8 1.0 C24 A:40M1002 3.9 31.2 1.0 C17 A:40M1002 3.9 20.8 1.0 C16 A:40M1002 4.0 17.1 1.0 O A:HOH1206 4.0 37.0 1.0 CG2 A:ILE534 4.0 20.1 1.0 C20 A:40M1002 4.0 20.9 1.0 CB A:ILE534 4.1 17.7 1.0 CD1 A:LEU619 4.1 21.0 1.0 C A:ALA629 4.2 17.3 1.0 C9 A:40M1002 4.3 16.0 1.0 C18 A:40M1002 4.5 20.1 1.0 CG A:ASP630 4.7 35.0 1.0 CD1 A:ILE534 4.7 21.0 1.0 C15 A:40M1002 4.8 18.4 1.0 N A:ALA629 4.9 15.5 1.0 CG A:LEU619 4.9 19.4 1.0 C10 A:40M1002 4.9 18.2 1.0 CA A:ASP630 4.9 24.3 1.0 O A:HOH1205 5.0 41.5 1.0 C11 A:40M1002 5.0 17.5 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of FGFR4 with An Irreversible 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 with An Irreversible Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1002 b:25.8 occ:1.00 CL A:40M1002 0.0 25.8 1.0 C20 A:40M1002 1.7 20.9 1.0 C22 A:40M1002 2.7 17.7 1.0 C18 A:40M1002 2.7 20.1 1.0 O1 A:40M1002 2.8 20.5 1.0 C14 A:40M1002 3.1 15.9 1.0 C16 A:40M1002 3.3 17.1 1.0 CB A:LYS503 3.7 24.2 1.0 CG2 A:VAL550 3.7 14.7 1.0 C21 A:40M1002 3.9 22.9 1.0 CG2 A:VAL481 3.9 26.0 1.0 C17 A:40M1002 3.9 20.8 1.0 CE A:LYS503 3.9 35.3 1.0 CG1 A:VAL481 4.0 21.7 1.0 C13 A:40M1002 4.0 16.6 1.0 N A:LYS503 4.2 16.6 1.0 C23 A:40M1002 4.3 18.5 1.0 CB A:ALA501 4.3 17.6 1.0 CA A:LYS503 4.4 19.9 1.0 C19 A:40M1002 4.4 21.5 1.0 C15 A:40M1002 4.5 18.4 1.0 O A:HOH1205 4.5 41.5 1.0 O A:ALA501 4.5 18.5 1.0 C A:VAL502 4.5 22.3 1.0 CB A:VAL481 4.6 21.5 1.0 CD A:LYS503 4.6 30.2 1.0 CG A:LYS503 4.6 25.3 1.0 C A:ALA501 4.6 19.6 1.0 CG1 A:VAL550 4.8 17.3 1.0 N A:VAL502 4.8 19.7 1.0 CB A:VAL550 4.9 14.6 1.0 O A:VAL502 4.9 19.2 1.0 C9 A:40M1002 4.9 16.0 1.0 O A:VAL548 5.0 19.8 1.0 NZ A:LYS503 5.0 41.7 1.0

M.Hagel, C.Miduturu, M.Sheets, N.Rubin, W.Weng, N.Stransky, N.Bifulco, J.L.Kim, B.Hodous, N.Brooijmans, A.Shutes, C.Winter, C.Lengauer, N.E.Kohl, T.Guzi. First Selective Small Molecule Inhibitor of FGFR4 For the Treatment of Hepatocellular Carcinomas with An Activated FGFR4 Signaling Pathway. Cancer Discov 2015.
ISSN: ESSN 2159-8290
PubMed: 25776529
DOI: 10.1158/2159-8290.CD-14-1029