Bromine in PDB 4ll0: Egfr L858R/T790M in Complex with PD168393

All present enzymatic activity of Egfr L858R/T790M in Complex with PD168393:
2.7.10.1;

The structure of Egfr L858R/T790M in Complex with PD168393, PDB code: 4ll0 was solved by C.H.Yun, M.J.Eck, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.60 / 4.00
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	61.640, 72.710, 167.030, 90.00, 90.00, 90.00
R / Rfree (%)	23.8 / 25.7

The binding sites of Bromine atom in the Egfr L858R/T790M in Complex with PD168393 (pdb code 4ll0). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 2 binding sites of Bromine where determined in the Egfr L858R/T790M in Complex with PD168393, PDB code: 4ll0:
Jump to Bromine binding site number: 1; 2;

Bromine binding site 1 out of 2 in the Egfr L858R/T790M in Complex with PD168393


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Egfr L858R/T790M in Complex with PD168393 within 5.0Å range: probe atom residue distance (Å) B Occ A:Br1101 b:0.8 occ:1.00 BR A:YUN1101 0.0 0.8 1.0 CAX A:YUN1101 1.9 0.8 1.0 CAH A:YUN1101 2.8 0.6 1.0 CAL A:YUN1101 2.8 0.2 1.0 O A:LEU788 3.8 0.2 1.0 CB A:MET790 3.9 0.4 1.0 O A:ALA743 3.9 0.4 1.0 CB A:LYS745 4.1 0.9 1.0 CAF A:YUN1101 4.1 0.7 1.0 CAY A:YUN1101 4.1 0.7 1.0 SD A:MET790 4.2 0.4 1.0 N A:LYS745 4.3 0.4 1.0 C A:LEU788 4.4 0.2 1.0 C A:ALA743 4.4 0.4 1.0 CB A:LEU788 4.4 0.4 1.0 CE A:MET790 4.5 0.4 1.0 C A:ILE789 4.6 0.6 1.0 C A:ILE744 4.6 0.0 1.0 CG A:MET790 4.6 0.4 1.0 N A:MET790 4.6 0.9 1.0 CB A:ALA743 4.6 1.0 1.0 CAI A:YUN1101 4.6 0.8 1.0 N1 A:YUN1101 4.7 0.6 1.0 CA A:ILE744 4.7 0.0 1.0 O A:ILE789 4.8 0.6 1.0 N A:ILE744 4.8 0.0 1.0 CA A:LYS745 4.9 0.4 1.0 CA A:MET790 4.9 0.9 1.0 N A:ILE789 4.9 0.6 1.0 CA A:ILE789 4.9 0.6 1.0

Bromine binding site 2 out of 2 in the Egfr L858R/T790M in Complex with PD168393


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Egfr L858R/T790M in Complex with PD168393 within 5.0Å range: probe atom residue distance (Å) B Occ B:Br1101 b:0.4 occ:1.00 BR B:YUN1101 0.0 0.4 1.0 CAX B:YUN1101 1.9 0.4 1.0 CAH B:YUN1101 2.8 0.5 1.0 CAL B:YUN1101 2.8 0.4 1.0 O B:ALA743 3.9 0.9 1.0 O B:LEU788 3.9 0.5 1.0 CB B:MET790 3.9 0.4 1.0 CB B:LYS745 4.1 0.2 1.0 CAF B:YUN1101 4.1 0.7 1.0 CAY B:YUN1101 4.1 0.8 1.0 SD B:MET790 4.2 0.4 1.0 N B:LYS745 4.3 0.2 1.0 C B:ALA743 4.4 0.9 1.0 C B:LEU788 4.4 0.5 1.0 CB B:LEU788 4.5 0.2 1.0 C B:ILE744 4.6 0.5 1.0 N B:MET790 4.6 0.0 1.0 CG B:MET790 4.6 0.4 1.0 C B:ILE789 4.6 0.4 1.0 CE B:MET790 4.6 0.4 1.0 CAI B:YUN1101 4.6 0.8 1.0 CB B:ALA743 4.6 0.3 1.0 N1 B:YUN1101 4.6 0.8 1.0 CA B:ILE744 4.7 0.5 1.0 N B:ILE744 4.8 0.5 1.0 CA B:LYS745 4.8 0.2 1.0 N B:ILE789 4.9 0.4 1.0 O B:ILE789 4.9 0.4 1.0 CA B:ILE789 4.9 0.4 1.0 CA B:MET790 4.9 0.0 1.0

M.Red Brewer, C.H.Yun, D.Lai, M.A.Lemmon, M.J.Eck, W.Pao. Mechanism For Activation of Mutated Epidermal Growth Factor Receptors in Lung Cancer. Proc.Natl.Acad.Sci.Usa V. 110 E3595 2013.
ISSN: ISSN 0027-8424
PubMed: 24019492
DOI: 10.1073/PNAS.1220050110