Bromine in PDB 4f64: Crystal Structure of Human Fibroblast Growth Factor Receptor 1 Kinase Domain in Complex with Compound 6

All present enzymatic activity of Crystal Structure of Human Fibroblast Growth Factor Receptor 1 Kinase Domain in Complex with Compound 6:
2.7.10.1;

The structure of Crystal Structure of Human Fibroblast Growth Factor Receptor 1 Kinase Domain in Complex with Compound 6, PDB code: 4f64 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)	61.90 / 2.05
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	208.810, 57.277, 65.433, 90.00, 107.55, 90.00
R / Rfree (%)	21.4 / 26.9

The binding sites of Bromine atom in the Crystal Structure of Human Fibroblast Growth Factor Receptor 1 Kinase Domain in Complex with Compound 6 (pdb code 4f64). 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 6, PDB code: 4f64:
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 6


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 6 within 5.0Å range: probe atom residue distance (Å) B Occ A:Br801 b:44.6 occ:1.00 BR1 A:0S8801 0.0 44.6 1.0 C23 A:0S8801 1.9 30.0 1.0 C10 A:0S8801 2.9 24.2 1.0 C22 A:0S8801 2.9 30.2 1.0 N9 A:0S8801 3.0 20.8 1.0 O A:ALA564 3.1 22.5 1.0 O A:SER565 3.5 24.7 1.0 O A:HOH1015 3.5 28.4 1.0 N A:GLY567 3.6 22.6 1.0 CA A:GLY567 3.7 22.2 1.0 C A:SER565 3.9 23.6 1.0 N11 A:0S8801 4.1 25.3 1.0 N21 A:0S8801 4.1 27.2 1.0 CD2 A:LEU484 4.1 27.0 1.0 C A:ALA564 4.2 21.7 1.0 CA A:SER565 4.2 23.5 1.0 CE1 A:TYR563 4.3 20.0 1.0 OH A:TYR563 4.4 24.4 1.0 C8 A:0S8801 4.4 17.8 1.0 N A:LYS566 4.6 22.5 1.0 C A:LYS566 4.6 22.5 1.0 C12 A:0S8801 4.6 27.8 1.0 CZ A:TYR563 4.7 21.0 1.0 N A:SER565 4.7 22.4 1.0 O A:HOH994 5.0 24.9 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 6


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 6 within 5.0Å range: probe atom residue distance (Å) B Occ B:Br801 b:51.4 occ:1.00 BR1 B:0S8801 0.0 51.4 1.0 C23 B:0S8801 1.9 34.9 1.0 C22 B:0S8801 2.8 34.8 1.0 C10 B:0S8801 2.9 31.1 1.0 O B:ALA564 3.2 25.3 1.0 N9 B:0S8801 3.2 25.8 1.0 O B:SER565 3.5 29.5 1.0 N B:GLY567 3.5 27.2 1.0 CA B:GLY567 3.7 26.6 1.0 C B:SER565 3.8 28.6 1.0 N21 B:0S8801 4.1 33.0 1.0 CE1 B:TYR563 4.1 20.3 1.0 N11 B:0S8801 4.1 30.6 1.0 CA B:SER565 4.1 28.3 1.0 C B:ALA564 4.2 24.9 1.0 OH B:TYR563 4.3 21.2 1.0 N B:LYS566 4.4 28.4 1.0 CD2 B:LEU484 4.5 26.9 1.0 C B:LYS566 4.5 27.6 1.0 C12 B:0S8801 4.6 30.7 1.0 C8 B:0S8801 4.6 21.7 1.0 CZ B:TYR563 4.6 21.8 1.0 N B:SER565 4.7 27.4 1.0 CA B:LYS566 4.9 28.4 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