Atomistry » Chlorine » PDB 2gm1-2h9b » 2gqg
Atomistry »
  Chlorine »
    PDB 2gm1-2h9b »
      2gqg »

Chlorine in PDB 2gqg: X-Ray Crystal Structure of Dasatinib (Bms-354825) Bound to Activated Abl Kinase Domain

Enzymatic activity of X-Ray Crystal Structure of Dasatinib (Bms-354825) Bound to Activated Abl Kinase Domain

All present enzymatic activity of X-Ray Crystal Structure of Dasatinib (Bms-354825) Bound to Activated Abl Kinase Domain:
2.7.10.2;

Protein crystallography data

The structure of X-Ray Crystal Structure of Dasatinib (Bms-354825) Bound to Activated Abl Kinase Domain, PDB code: 2gqg was solved by H.E.Klei, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 50.00 / 2.40
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 105.192, 105.192, 111.100, 90.00, 90.00, 90.00
R / Rfree (%) 20.8 / 27.3

Chlorine Binding Sites:

The binding sites of Chlorine atom in the X-Ray Crystal Structure of Dasatinib (Bms-354825) Bound to Activated Abl Kinase Domain (pdb code 2gqg). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the X-Ray Crystal Structure of Dasatinib (Bms-354825) Bound to Activated Abl Kinase Domain, PDB code: 2gqg:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 2gqg

Go back to Chlorine Binding Sites List in 2gqg
Chlorine binding site 1 out of 2 in the X-Ray Crystal Structure of Dasatinib (Bms-354825) Bound to Activated Abl Kinase Domain


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of X-Ray Crystal Structure of Dasatinib (Bms-354825) Bound to Activated Abl Kinase Domain within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl501

b:42.7
occ:1.00
CL A:1N1501 0.0 42.7 1.0
C5 A:1N1501 1.7 30.6 1.0
C6 A:1N1501 2.7 30.2 1.0
C4 A:1N1501 2.7 27.2 1.0
N2 A:1N1501 3.0 25.1 1.0
O A:ILE313 3.2 21.9 1.0
N A:LYS271 3.4 34.0 1.0
CB A:LYS271 3.5 37.3 1.0
C3 A:1N1501 3.6 24.6 1.0
O A:1N1501 3.7 26.4 1.0
C A:VAL270 3.7 32.1 1.0
O A:ALA269 3.9 30.8 1.0
OG1 A:THR315 3.9 15.1 1.0
C A:ALA269 3.9 30.7 1.0
N A:VAL270 3.9 30.5 1.0
CA A:VAL270 4.0 29.9 1.0
C7 A:1N1501 4.0 26.3 1.0
CA A:LYS271 4.0 35.6 1.0
C9 A:1N1501 4.0 24.1 1.0
CG2 A:THR315 4.1 17.7 1.0
CB A:ALA269 4.2 31.4 1.0
C A:ILE313 4.2 22.7 1.0
O A:VAL270 4.3 31.9 1.0
C8 A:1N1501 4.5 24.6 1.0
N A:THR315 4.5 17.2 1.0
CB A:THR315 4.6 19.0 1.0
CG A:LYS271 4.7 39.5 1.0
C2 A:1N1501 4.7 24.1 1.0
CA A:ALA269 4.7 30.3 1.0
CG2 A:ILE313 4.8 17.6 1.0
CB A:ILE313 4.8 22.2 1.0
CD A:LYS271 4.8 42.4 1.0
CA A:ILE314 4.9 19.6 1.0
CG1 A:VAL256 4.9 48.6 1.0
C A:ILE314 5.0 19.3 1.0
N A:ILE314 5.0 20.8 1.0

Chlorine binding site 2 out of 2 in 2gqg

Go back to Chlorine Binding Sites List in 2gqg
Chlorine binding site 2 out of 2 in the X-Ray Crystal Structure of Dasatinib (Bms-354825) Bound to Activated Abl Kinase Domain


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of X-Ray Crystal Structure of Dasatinib (Bms-354825) Bound to Activated Abl Kinase Domain within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl502

b:35.9
occ:1.00
CL B:1N1502 0.0 35.9 1.0
C5 B:1N1502 1.7 21.6 1.0
C6 B:1N1502 2.7 21.5 1.0
C4 B:1N1502 2.7 21.4 1.0
N2 B:1N1502 3.0 20.0 1.0
O B:ILE313 3.4 21.0 1.0
N B:LYS271 3.4 27.4 1.0
C3 B:1N1502 3.5 22.3 1.0
O B:ALA269 3.6 23.6 1.0
CB B:LYS271 3.6 30.1 1.0
O B:1N1502 3.7 23.9 1.0
C B:ALA269 3.8 23.4 1.0
C B:VAL270 3.8 26.5 1.0
CG2 B:THR315 3.9 15.0 1.0
C7 B:1N1502 4.0 16.9 1.0
N B:VAL270 4.0 24.0 1.0
CB B:ALA269 4.0 20.0 1.0
OG1 B:THR315 4.0 17.1 1.0
C9 B:1N1502 4.0 19.8 1.0
CA B:VAL270 4.0 23.9 1.0
CA B:LYS271 4.1 29.6 1.0
C B:ILE313 4.4 23.0 1.0
C8 B:1N1502 4.5 18.1 1.0
CA B:ALA269 4.5 23.4 1.0
N B:THR315 4.5 20.3 1.0
CB B:THR315 4.5 19.5 1.0
O B:VAL270 4.6 27.5 1.0
C2 B:1N1502 4.6 20.8 1.0
CG1 B:VAL256 4.6 46.5 1.0
CG2 B:ILE313 4.9 20.9 1.0
CG B:LYS271 4.9 30.3 1.0
CB B:ILE313 4.9 22.4 1.0
CA B:ILE314 5.0 19.6 1.0

Reference:

J.S.Tokarski, J.Newitt, C.Y.J.Chang, J.D.Cheng, M.Wittekind, S.E.Kiefer, K.Kish, F.Y.F.Lee, R.Borzilerri, L.J.Lombardo, D.Xie, Y.Zhang, H.E.Klei. The Structure of Dasatinib (Bms-354825) Bound to Activated Abl Kinase Domain Elucidates Its Inhibitory Activity Against Imatinib-Resistant Abl Mutants Cancer Res. V. 66 5790 2006.
ISSN: ISSN 0008-5472
PubMed: 16740718
DOI: 10.1158/0008-5472.CAN-05-4187
Page generated: Sat Dec 12 09:06:37 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