Bromine in PDB 4f63: Crystal Structure of Human Fibroblast Growth Factor Receptor 1 Kinase Domain in Complex with Compound 1

All present enzymatic activity of Crystal Structure of Human Fibroblast Growth Factor Receptor 1 Kinase Domain in Complex with Compound 1:
2.7.10.1;

The structure of Crystal Structure of Human Fibroblast Growth Factor Receptor 1 Kinase Domain in Complex with Compound 1, PDB code: 4f63 was solved by R.A.Norman, J.Breed, D.Ogg, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	17.33 / 2.55
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	208.306, 57.477, 65.452, 90.00, 107.42, 90.00
R / Rfree (%)	22.9 / 28.7

The binding sites of Bromine atom in the Crystal Structure of Human Fibroblast Growth Factor Receptor 1 Kinase Domain in Complex with Compound 1 (pdb code 4f63). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 2 binding sites of Bromine where determined in the Crystal Structure of Human Fibroblast Growth Factor Receptor 1 Kinase Domain in Complex with Compound 1, PDB code: 4f63:
Jump to Bromine binding site number: 1; 2;

Bromine binding site 1 out of 2 in the Crystal Structure of Human Fibroblast Growth Factor Receptor 1 Kinase Domain in Complex with Compound 1


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Crystal Structure of Human Fibroblast Growth Factor Receptor 1 Kinase Domain in Complex with Compound 1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Br801 b:76.5 occ:1.00 BR1 A:0S7801 0.0 76.5 1.0 C20 A:0S7801 1.9 60.8 1.0 C6 A:0S7801 2.9 55.6 1.0 C19 A:0S7801 2.9 59.5 1.0 N5 A:0S7801 3.1 46.3 1.0 O A:ALA564 3.1 26.0 1.0 O A:SER565 3.3 27.8 1.0 C A:SER565 3.6 27.1 1.0 N A:GLY567 3.6 28.0 1.0 CA A:SER565 3.9 26.7 1.0 CA A:GLY567 3.9 27.7 1.0 N7 A:0S7801 4.1 56.1 1.0 N18 A:0S7801 4.1 57.7 1.0 C A:ALA564 4.1 25.2 1.0 CE1 A:TYR563 4.2 30.1 1.0 OH A:TYR563 4.2 34.2 1.0 CD2 A:LEU484 4.3 47.3 1.0 N A:LYS566 4.3 27.3 1.0 C4 A:0S7801 4.4 39.9 1.0 N A:SER565 4.5 25.7 1.0 CZ A:TYR563 4.5 31.8 1.0 C8 A:0S7801 4.6 57.2 1.0 C A:LYS566 4.6 27.5 1.0 CA A:LYS566 4.8 27.5 1.0

Bromine binding site 2 out of 2 in the Crystal Structure of Human Fibroblast Growth Factor Receptor 1 Kinase Domain in Complex with Compound 1


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Crystal Structure of Human Fibroblast Growth Factor Receptor 1 Kinase Domain in Complex with Compound 1 within 5.0Å range: probe atom residue distance (Å) B Occ B:Br801 b:80.2 occ:1.00 BR1 B:0S7801 0.0 80.2 1.0 C20 B:0S7801 1.9 61.5 1.0 C6 B:0S7801 2.8 55.8 1.0 C19 B:0S7801 2.9 61.2 1.0 N5 B:0S7801 3.0 46.3 1.0 O B:ALA564 3.2 33.3 1.0 N B:GLY567 3.6 33.7 1.0 O B:SER565 3.6 33.7 1.0 CA B:GLY567 3.7 33.0 1.0 C B:SER565 4.0 33.2 1.0 N7 B:0S7801 4.0 57.5 1.0 CE1 B:TYR563 4.1 35.4 1.0 N18 B:0S7801 4.1 59.9 1.0 CD2 B:LEU484 4.3 48.0 1.0 C B:ALA564 4.3 33.5 1.0 C4 B:0S7801 4.4 39.3 1.0 CA B:SER565 4.4 33.2 1.0 C8 B:0S7801 4.5 59.8 1.0 OH B:TYR563 4.5 38.5 1.0 N B:LYS566 4.5 33.4 1.0 C B:LYS566 4.6 33.5 1.0 CZ B:TYR563 4.7 36.1 1.0 N B:SER565 4.9 33.6 1.0 CD1 B:TYR563 4.9 33.7 1.0 CA B:LYS566 4.9 33.8 1.0

R.A.Norman, A.K.Schott, D.M.Andrews, J.Breed, K.M.Foote, A.P.Garner, D.Ogg, J.P.Orme, J.H.Pink, K.Roberts, D.A.Rudge, A.P.Thomas, A.G.Leach. Protein-Ligand Crystal Structures Can Guide the Design of Selective Inhibitors of the Fgfr Tyrosine Kinase. J.Med.Chem. V. 55 5003 2012.
ISSN: ISSN 0022-2623
PubMed: 22612866
DOI: 10.1021/JM3004043