Bromine in PDB 4f65: Crystal Structure of Human Fibroblast Growth Factor Receptor 1 Kinase Domain in Complex with Compound 8

All present enzymatic activity of Crystal Structure of Human Fibroblast Growth Factor Receptor 1 Kinase Domain in Complex with Compound 8:
2.7.10.1;

The structure of Crystal Structure of Human Fibroblast Growth Factor Receptor 1 Kinase Domain in Complex with Compound 8, PDB code: 4f65 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)	39.95 / 2.26
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	210.713, 50.365, 65.641, 90.00, 106.67, 90.00
R / Rfree (%)	20.3 / 23.5

The binding sites of Bromine atom in the Crystal Structure of Human Fibroblast Growth Factor Receptor 1 Kinase Domain in Complex with Compound 8 (pdb code 4f65). 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 8, PDB code: 4f65:
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 8


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 8 within 5.0Å range: probe atom residue distance (Å) B Occ A:Br808 b:45.1 occ:1.00 BR1 A:0S9808 0.0 45.1 1.0 C12 A:0S9808 1.9 39.4 1.0 C11 A:0S9808 2.8 40.0 1.0 C13 A:0S9808 2.9 35.9 1.0 N15 A:0S9808 3.2 34.0 1.0 O A:ALA564 3.2 33.7 1.0 O A:SER565 3.4 38.1 1.0 N A:GLY567 3.6 32.7 1.0 C A:SER565 3.7 37.3 1.0 CA A:GLY567 3.8 31.5 1.0 CA A:SER565 4.1 31.1 1.0 CD2 A:LEU484 4.1 44.7 1.0 N10 A:0S9808 4.1 41.2 1.0 N14 A:0S9808 4.2 35.7 1.0 CE1 A:TYR563 4.2 36.5 1.0 C A:ALA564 4.3 32.8 1.0 N A:LYS566 4.4 34.2 1.0 C16 A:0S9808 4.5 33.4 1.0 C A:LYS566 4.5 38.1 1.0 OH A:TYR563 4.6 44.5 1.0 C9 A:0S9808 4.6 36.8 1.0 O A:HOH997 4.6 44.3 1.0 N A:SER565 4.6 30.1 1.0 CZ A:TYR563 4.8 42.5 1.0 CA A:LYS566 4.9 33.9 1.0 CD1 A:LEU484 4.9 41.1 1.0 CG A:LEU484 4.9 43.8 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 8


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 8 within 5.0Å range: probe atom residue distance (Å) B Occ B:Br808 b:50.1 occ:1.00 BR1 B:0S9808 0.0 50.1 1.0 C12 B:0S9808 1.9 41.4 1.0 C11 B:0S9808 2.8 37.1 1.0 C13 B:0S9808 2.9 36.6 1.0 N15 B:0S9808 3.2 36.9 1.0 O B:ALA564 3.3 41.6 1.0 O B:SER565 3.5 49.5 1.0 N B:GLY567 3.7 40.0 1.0 O B:HOH976 3.8 58.6 1.0 CA B:GLY567 3.8 38.6 1.0 C B:SER565 3.8 47.4 1.0 N10 B:0S9808 4.1 34.2 1.0 N14 B:0S9808 4.2 34.4 1.0 CA B:SER565 4.2 45.0 1.0 CD2 B:LEU484 4.2 50.9 1.0 CE1 B:TYR563 4.2 35.7 1.0 C B:ALA564 4.3 43.0 1.0 OH B:TYR563 4.5 50.1 1.0 C16 B:0S9808 4.5 38.4 1.0 N B:LYS566 4.6 41.0 1.0 C9 B:0S9808 4.6 32.8 1.0 C B:LYS566 4.7 45.0 1.0 N B:SER565 4.7 42.8 1.0 CZ B:TYR563 4.8 44.7 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