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Chlorine in PDB 4i22: Structure of the Monomeric (V948R)Gefitinib/Erlotinib Resistant Double Mutant (L858R+T790M) Egfr Kinase Domain Co-Crystallized with Gefitinib

Enzymatic activity of Structure of the Monomeric (V948R)Gefitinib/Erlotinib Resistant Double Mutant (L858R+T790M) Egfr Kinase Domain Co-Crystallized with Gefitinib

All present enzymatic activity of Structure of the Monomeric (V948R)Gefitinib/Erlotinib Resistant Double Mutant (L858R+T790M) Egfr Kinase Domain Co-Crystallized with Gefitinib:
2.7.10.1;

Protein crystallography data

The structure of Structure of the Monomeric (V948R)Gefitinib/Erlotinib Resistant Double Mutant (L858R+T790M) Egfr Kinase Domain Co-Crystallized with Gefitinib, PDB code: 4i22 was solved by K.S.Gajiwala, J.Feng, R.Ferre, K.Ryan, O.Brodsky, A.Stewart, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 42.64 / 1.71
Space group P 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 76.519, 35.486, 77.781, 90.00, 112.89, 90.00
R / Rfree (%) 19.7 / 22.4

Other elements in 4i22:

The structure of Structure of the Monomeric (V948R)Gefitinib/Erlotinib Resistant Double Mutant (L858R+T790M) Egfr Kinase Domain Co-Crystallized with Gefitinib also contains other interesting chemical elements:

Fluorine (F) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Structure of the Monomeric (V948R)Gefitinib/Erlotinib Resistant Double Mutant (L858R+T790M) Egfr Kinase Domain Co-Crystallized with Gefitinib (pdb code 4i22). 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 Structure of the Monomeric (V948R)Gefitinib/Erlotinib Resistant Double Mutant (L858R+T790M) Egfr Kinase Domain Co-Crystallized with Gefitinib, PDB code: 4i22:

Chlorine binding site 1 out of 1 in 4i22

Go back to Chlorine Binding Sites List in 4i22
Chlorine binding site 1 out of 1 in the Structure of the Monomeric (V948R)Gefitinib/Erlotinib Resistant Double Mutant (L858R+T790M) Egfr Kinase Domain Co-Crystallized with Gefitinib


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of the Monomeric (V948R)Gefitinib/Erlotinib Resistant Double Mutant (L858R+T790M) Egfr Kinase Domain Co-Crystallized with Gefitinib within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl9001

b:25.8
occ:1.00
 CL A:IRE9001 0.0 25.8 1.0
CAX A:IRE9001 1.7 22.4 1.0
CAG A:IRE9001 2.7 21.6 1.0
CAW A:IRE9001 2.7 21.8 1.0
FAB A:IRE9001 3.0 25.0 1.0
O A:LEU788 3.3 23.3 1.0
N A:LYS745 3.5 23.0 1.0
CB A:LYS745 3.6 26.5 1.0
O A:ALA743 3.6 21.2 1.0
CG A:MET790 3.6 22.7 1.0
SD A:MET790 3.7 23.8 1.0
CB A:MET790 3.9 21.1 1.0
C A:ILE744 3.9 24.1 1.0
C A:ALA743 3.9 22.5 1.0
C A:LEU788 3.9 23.3 1.0
N A:MET790 4.0 20.5 1.0
CAY A:IRE9001 4.0 19.6 1.0
CAD A:IRE9001 4.1 22.4 1.0
CA A:ILE744 4.1 23.3 1.0
N A:ILE744 4.1 22.2 1.0
CA A:LYS745 4.2 26.9 1.0
CB A:LEU788 4.2 23.8 1.0
CB A:ALA743 4.3 21.8 1.0
C A:ILE789 4.4 20.8 1.0
N A:ILE789 4.5 22.6 1.0
CA A:ILE789 4.5 22.0 1.0
CAE A:IRE9001 4.6 21.7 1.0
CA A:MET790 4.6 20.2 1.0
O A:ILE744 4.6 24.9 1.0
CA A:LEU788 4.7 25.1 1.0
CA A:ALA743 4.8 21.9 1.0
O A:HOH9102 4.9 20.5 1.0
CG A:LYS745 4.9 27.6 1.0

Reference:

K.S.Gajiwala, J.Feng, R.Ferre, K.Ryan, O.Brodsky, S.Weinrich, J.C.Kath, A.Stewart. Insights Into the Aberrant Activity of Mutant Egfr Kinase Domain and Drug Recognition. Structure V. 21 209 2013.
ISSN: ISSN 0969-2126
PubMed: 23273428
DOI: 10.1016/J.STR.2012.11.014
Page generated: Sun Jul 21 16:20:55 2024

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