Atomistry » Chlorine » PDB 3ue5-3unf » 3ug2
Atomistry »
  Chlorine »
    PDB 3ue5-3unf »
      3ug2 »

Chlorine in PDB 3ug2: Crystal Structure of the Mutated Egfr Kinase Domain (G719S/T790M) in Complex with Gefitinib

Enzymatic activity of Crystal Structure of the Mutated Egfr Kinase Domain (G719S/T790M) in Complex with Gefitinib

All present enzymatic activity of Crystal Structure of the Mutated Egfr Kinase Domain (G719S/T790M) in Complex with Gefitinib:
2.7.10.1;

Protein crystallography data

The structure of Crystal Structure of the Mutated Egfr Kinase Domain (G719S/T790M) in Complex with Gefitinib, PDB code: 3ug2 was solved by L.J.Parker, N.Handa, S.Yoshikawa, M.Kukimoto-Niino, M.Shirouzu, S.Yokoyama, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 45.45 / 2.50
Space group I 2 3
Cell size a, b, c (Å), α, β, γ (°) 143.675, 143.675, 143.675, 90.00, 90.00, 90.00
R / Rfree (%) 18.6 / 24.9

Other elements in 3ug2:

The structure of Crystal Structure of the Mutated Egfr Kinase Domain (G719S/T790M) in Complex with Gefitinib also contains other interesting chemical elements:

Fluorine (F) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of the Mutated Egfr Kinase Domain (G719S/T790M) in Complex with Gefitinib (pdb code 3ug2). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Crystal Structure of the Mutated Egfr Kinase Domain (G719S/T790M) in Complex with Gefitinib, PDB code: 3ug2:

Chlorine binding site 1 out of 1 in 3ug2

Go back to Chlorine Binding Sites List in 3ug2
Chlorine binding site 1 out of 1 in the Crystal Structure of the Mutated Egfr Kinase Domain (G719S/T790M) in Complex with Gefitinib


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 the Mutated Egfr Kinase Domain (G719S/T790M) in Complex with Gefitinib within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1

b:30.2
occ:0.50
 CL A:IRE1 0.0 30.2 0.5
CAX A:IRE1 1.8 27.1 0.5
CAW A:IRE1 2.7 30.9 0.5
FAB A:IRE1 2.8 36.7 0.5
CAG A:IRE1 2.8 27.4 0.5
O A:LEU788 3.0 35.6 1.0
O A:ALA743 3.2 35.7 1.0
CG A:MET790 3.3 36.6 1.0
N A:LYS745 3.3 46.0 1.0
CB A:LYS745 3.6 49.6 1.0
C A:ALA743 3.7 35.8 1.0
C A:LEU788 3.8 36.6 1.0
SD A:MET790 3.8 42.5 1.0
C A:ILE744 3.9 43.0 1.0
CB A:MET790 4.0 30.5 1.0
CAD A:IRE1 4.0 28.3 0.5
CA A:LYS745 4.1 49.0 1.0
CB A:LEU788 4.1 38.7 1.0
CA A:ILE744 4.1 40.0 1.0
N A:ILE744 4.1 38.3 1.0
CAY A:IRE1 4.1 26.4 0.5
N A:MET790 4.1 30.8 1.0
CB A:ALA743 4.4 32.2 1.0
CA A:LEU788 4.6 38.0 1.0
CAE A:IRE1 4.6 23.8 0.5
N A:ILE789 4.6 35.0 1.0
O A:HOH36 4.7 36.4 1.0
CA A:ILE789 4.7 32.5 1.0
C A:ILE789 4.7 32.8 1.0
CA A:MET790 4.7 31.1 1.0
CA A:ALA743 4.7 33.6 1.0
O A:ILE744 4.8 43.7 1.0
CG A:LYS745 4.9 50.8 1.0

Reference:

S.Yoshikawa, M.Kukimoto-Niino, L.Parker, N.Handa, T.Terada, T.Fujimoto, Y.Terazawa, M.Wakiyama, M.Sato, S.Sano, T.Kobayashi, T.Tanaka, L.Chen, Z.J.Liu, B.C.Wang, M.Shirouzu, S.Kawa, K.Semba, T.Yamamoto, S.Yokoyama. Structural Basis For the Altered Drug Sensitivities of Non-Small Cell Lung Cancer-Associated Mutants of Human Epidermal Growth Factor Receptor Oncogene V. 32 27 2013.
ISSN: ISSN 0950-9232
PubMed: 22349823
DOI: 10.1038/ONC.2012.21
Page generated: Sat Dec 12 10:14:50 2020

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy