Chlorine in PDB 5xfj: Crystal Structure of LY2874455 in Complex of FGFR4 Gatekeeper Mutation (V550M)

All present enzymatic activity of Crystal Structure of LY2874455 in Complex of FGFR4 Gatekeeper Mutation (V550M):
2.7.10.1;

The structure of Crystal Structure of LY2874455 in Complex of FGFR4 Gatekeeper Mutation (V550M), PDB code: 5xfj was solved by D.Wu, Y.Chen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.73 / 3.25
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	62.216, 62.216, 184.955, 90.00, 90.00, 90.00
R / Rfree (%)	27.9 / 33.6

The binding sites of Chlorine atom in the Crystal Structure of LY2874455 in Complex of FGFR4 Gatekeeper Mutation (V550M) (pdb code 5xfj). 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 LY2874455 in Complex of FGFR4 Gatekeeper Mutation (V550M), PDB code: 5xfj:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of LY2874455 in Complex of FGFR4 Gatekeeper Mutation (V550M)


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 LY2874455 in Complex of FGFR4 Gatekeeper Mutation (V550M) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl801 b:0.1 occ:1.00 CL1 A:6LF801 0.0 0.1 1.0 CAY A:6LF801 1.8 0.9 1.0 CBC A:6LF801 2.8 0.2 1.0 CAP A:6LF801 2.8 0.5 1.0 OAC A:6LF801 2.9 0.1 1.0 CAK A:6LF801 3.1 0.9 1.0 CAS A:6LF801 3.4 0.2 1.0 CAM A:6LF801 3.6 0.3 1.0 CAR A:6LF801 3.9 95.0 1.0 NAI A:6LF801 4.0 0.6 1.0 CB A:ALA629 4.0 97.8 1.0 CAZ A:6LF801 4.0 0.0 1.0 OD2 A:ASP630 4.3 0.4 1.0 CAO A:6LF801 4.5 99.4 1.0 CBD A:6LF801 4.5 0.9 1.0 OD1 A:ASP630 4.8 0.9 1.0 CD1 A:LEU619 4.9 92.0 1.0 CG A:ASP630 4.9 0.6 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of LY2874455 in Complex of FGFR4 Gatekeeper Mutation (V550M)


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 LY2874455 in Complex of FGFR4 Gatekeeper Mutation (V550M) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl801 b:0.3 occ:1.00 CL2 A:6LF801 0.0 0.3 1.0 CAZ A:6LF801 1.8 0.0 1.0 CBD A:6LF801 2.7 0.9 1.0 CAP A:6LF801 2.8 0.5 1.0 O A:LEU473 3.0 0.1 1.0 CAK A:6LF801 3.1 0.9 1.0 CAV A:6LF801 3.6 92.5 1.0 C A:LEU473 3.7 0.3 1.0 CAS A:6LF801 3.8 0.2 1.0 CAO A:6LF801 3.9 99.4 1.0 CAX A:6LF801 4.0 98.1 1.0 NAI A:6LF801 4.0 0.6 1.0 CAY A:6LF801 4.0 0.9 1.0 CAU A:6LF801 4.2 95.0 1.0 CB A:LEU473 4.3 0.8 1.0 OAC A:6LF801 4.3 0.1 1.0 N A:GLY474 4.4 0.1 1.0 CBC A:6LF801 4.5 0.2 1.0 OE2 A:GLU475 4.5 0.0 1.0 CA A:LEU473 4.6 0.3 1.0 CAM A:6LF801 4.6 0.3 1.0 CA A:GLY474 4.8 0.0 1.0 CAT A:6LF801 4.9 97.1 1.0 CAJ A:6LF801 4.9 92.0 1.0 N A:GLU475 4.9 0.9 1.0 CD A:GLU475 4.9 0.5 1.0

D.Wu, M.Guo, X.Min, S.Dai, M.Li, S.Tan, G.Li, X.Chen, Y.Ma, J.Li, L.Jiang, L.Qu, Z.Zhou, Z.Chen, L.Chen, G.Xu, Y.Chen. LY2874455 Potently Inhibits Fgfr Gatekeeper Mutants and Overcomes Mutation-Based Resistance. Chem. Commun. (Camb.) V. 54 12089 2018.
ISSN: ESSN 1364-548X
PubMed: 30298149
DOI: 10.1039/C8CC07546H