Chlorine in PDB 7f3m: Crystal Structure of FGFR4 Kinase Domain with PRN1371

All present enzymatic activity of Crystal Structure of FGFR4 Kinase Domain with PRN1371:
2.7.10.1;

The structure of Crystal Structure of FGFR4 Kinase Domain with PRN1371, PDB code: 7f3m was solved by X.J.Chen, L.Z.Qu, S.Y.Dai, H.D.Wei, Y.H.Chen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.99 / 2.29
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	42.449, 61.1, 61.041, 90, 97.65, 90
R / Rfree (%)	18.7 / 23.7

The binding sites of Chlorine atom in the Crystal Structure of FGFR4 Kinase Domain with PRN1371 (pdb code 7f3m). 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 PRN1371, PDB code: 7f3m:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of FGFR4 Kinase Domain with PRN1371


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 PRN1371 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl801 b:24.2 occ:1.00 CL1 A:GX3801 0.0 24.2 1.0 C11 A:GX3801 1.7 30.7 1.0 C12 A:GX3801 2.7 34.4 1.0 C10 A:GX3801 2.7 28.9 1.0 O3 A:GX3801 2.9 31.0 1.0 C7 A:GX3801 3.1 27.5 1.0 C6 A:GX3801 3.5 29.7 1.0 CG1 A:VAL481 3.6 28.3 1.0 CB A:LYS503 3.6 23.2 1.0 O1 A:GX3801 3.6 34.1 1.0 CG2 A:VAL550 3.7 27.6 1.0 C8 A:GX3801 3.8 22.2 1.0 N A:LYS503 4.0 28.7 1.0 C13 A:GX3801 4.0 39.4 1.0 C15 A:GX3801 4.0 31.6 1.0 CG2 A:VAL481 4.2 30.6 1.0 C A:VAL502 4.2 26.6 1.0 CA A:LYS503 4.2 27.8 1.0 CE A:LYS503 4.3 44.8 1.0 CB A:ALA501 4.3 24.6 1.0 C16 A:GX3801 4.3 28.0 1.0 CB A:VAL481 4.5 28.0 1.0 N4 A:GX3801 4.5 24.7 1.0 C14 A:GX3801 4.5 34.0 1.0 C A:ALA501 4.6 21.0 1.0 O A:VAL502 4.6 26.7 1.0 N A:VAL502 4.6 22.7 1.0 O A:HOH1115 4.6 35.5 1.0 C1 A:GX3801 4.7 23.2 1.0 O A:ALA501 4.7 22.4 1.0 CG A:LYS503 4.7 31.3 1.0 CD A:LYS503 4.7 37.0 1.0 CA A:VAL502 4.8 26.8 1.0 O A:VAL548 4.8 27.9 1.0 CG1 A:VAL550 4.9 26.1 1.0 CB A:VAL550 4.9 25.1 1.0 C2 A:GX3801 5.0 26.2 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of FGFR4 Kinase Domain with PRN1371


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 PRN1371 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl801 b:35.5 occ:1.00 CL2 A:GX3801 0.0 35.5 1.0 C15 A:GX3801 1.7 31.6 1.0 C10 A:GX3801 2.7 28.9 1.0 C14 A:GX3801 2.7 34.0 1.0 O2 A:GX3801 2.9 34.2 1.0 C7 A:GX3801 2.9 27.5 1.0 C8 A:GX3801 3.3 22.2 1.0 CB A:ALA629 3.4 26.5 1.0 N A:ASP630 3.5 25.9 1.0 C6 A:GX3801 3.6 29.7 1.0 CA A:ALA629 3.7 31.3 1.0 CG1 A:ILE534 3.8 23.2 1.0 OD1 A:ASP630 3.8 40.5 1.0 CD1 A:LEU619 3.9 26.8 1.0 O1 A:GX3801 3.9 34.1 1.0 C11 A:GX3801 4.0 30.7 1.0 C13 A:GX3801 4.0 39.4 1.0 CG2 A:ILE534 4.0 23.8 1.0 CB A:ILE534 4.0 28.2 1.0 C A:ALA629 4.1 32.9 1.0 C1 A:GX3801 4.2 23.2 1.0 CG A:ASP630 4.2 39.3 1.0 C17 A:GX3801 4.3 36.1 1.0 N4 A:GX3801 4.4 24.7 1.0 O A:HOH1115 4.4 35.5 1.0 C12 A:GX3801 4.5 34.4 1.0 CA A:ASP630 4.5 34.9 1.0 OD2 A:ASP630 4.6 42.7 1.0 C2 A:GX3801 4.7 26.2 1.0 CD1 A:ILE534 4.8 21.9 1.0 CB A:ASP630 4.9 35.0 1.0

L.Qu, X.Chen, H.Wei, M.Guo, S.Dai, L.Jiang, J.Li, S.Yue, Z.Chen, Y.Chen. Structural Insights Into the Potency and Selectivity of Covalent Pan-Fgfr Inhibitors Commun Chem V. 5 5 2022.
ISSN: ESSN 2399-3669
DOI: 10.1038/S42004-021-00623-X