Chlorine in PDB 5z0s: Crystal Structure of FGFR1 Kinase Domain in Complex with A Novel Inhibitor

All present enzymatic activity of Crystal Structure of FGFR1 Kinase Domain in Complex with A Novel Inhibitor:
2.7.10.1;

The structure of Crystal Structure of FGFR1 Kinase Domain in Complex with A Novel Inhibitor, PDB code: 5z0s was solved by Q.Liu, Y.Xu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.80 / 2.45
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	210.130, 57.980, 65.360, 90.00, 107.38, 90.00
R / Rfree (%)	22.5 / 27.5

The binding sites of Chlorine atom in the Crystal Structure of FGFR1 Kinase Domain in Complex with A Novel Inhibitor (pdb code 5z0s). 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 FGFR1 Kinase Domain in Complex with A Novel Inhibitor, PDB code: 5z0s:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of FGFR1 Kinase Domain in Complex with A Novel 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 FGFR1 Kinase Domain in Complex with A Novel Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl801 b:61.0 occ:1.00 CL1 A:960801 0.0 61.0 1.0 C17 A:960801 1.7 57.7 1.0 N16 A:960801 2.7 57.7 1.0 C18 A:960801 2.7 59.2 1.0 OD1 A:ASP641 3.2 41.3 1.0 C20 A:960801 3.6 37.4 1.0 N21 A:960801 3.6 39.3 1.0 CG A:ASP641 3.6 37.8 1.0 OD2 A:ASP641 3.8 44.0 1.0 CB A:PHE489 3.9 44.6 1.0 C10 A:960801 3.9 36.0 1.0 N22 A:960801 4.0 34.0 1.0 C19 A:960801 4.0 55.0 1.0 N12 A:960801 4.0 64.1 1.0 CB A:ALA640 4.1 28.5 1.0 C24 A:960801 4.1 35.9 1.0 C23 A:960801 4.1 35.3 1.0 CD2 A:PHE489 4.2 54.3 1.0 CG A:PHE489 4.2 50.9 1.0 C06 A:960801 4.4 44.3 1.0 C13 A:960801 4.6 59.7 1.0 C01 A:960801 4.7 35.9 1.0 CB A:ASP641 4.7 35.1 1.0 CD1 A:LEU630 4.7 36.4 1.0 O A:PHE489 4.8 47.8 1.0 N A:ASP641 4.9 26.5 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of FGFR1 Kinase Domain in Complex with A Novel 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 FGFR1 Kinase Domain in Complex with A Novel Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl801 b:55.1 occ:1.00 CL1 B:960801 0.0 55.1 1.0 C17 B:960801 1.7 50.1 1.0 N16 B:960801 2.6 49.3 1.0 C18 B:960801 2.8 43.9 1.0 C20 B:960801 3.4 38.7 1.0 C10 B:960801 3.6 38.5 1.0 N21 B:960801 3.6 36.3 1.0 OD2 B:ASP641 3.6 46.7 1.0 C23 B:960801 3.9 37.1 1.0 N22 B:960801 3.9 38.3 1.0 CB B:PHE489 3.9 46.6 1.0 OD1 B:ASP641 3.9 44.0 1.0 CG B:ASP641 4.0 41.7 1.0 C06 B:960801 4.0 43.3 1.0 N12 B:960801 4.0 57.1 1.0 C19 B:960801 4.0 43.9 1.0 CG B:PHE489 4.1 49.2 1.0 C01 B:960801 4.2 39.4 1.0 C24 B:960801 4.2 32.8 1.0 CD1 B:PHE489 4.3 55.0 1.0 CB B:ALA640 4.4 31.8 1.0 CD1 B:LEU630 4.5 32.8 1.0 C13 B:960801 4.6 53.5 1.0 CD2 B:PHE489 4.8 53.5 1.0

A.Jiang, Q.Liu, R.Wang, P.Wei, Y.Dai, X.Wang, Y.Xu, Y.Ma, J.Ai, J.Shen, J.Ding, B.Xiong. Structure-Based Discovery of A Series of 5H-Pyrrolo[2,3-B]Pyrazine Fgfr Kinase Inhibitors Molecules V. 23 2018.
ISSN: ESSN 1420-3049
PubMed: 29562726
DOI: 10.3390/MOLECULES23030698