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Chlorine in PDB 3k5v: Structure of Abl Kinase in Complex with Imatinib and Gnf-2

Enzymatic activity of Structure of Abl Kinase in Complex with Imatinib and Gnf-2

All present enzymatic activity of Structure of Abl Kinase in Complex with Imatinib and Gnf-2:
2.7.10.2;

Protein crystallography data

The structure of Structure of Abl Kinase in Complex with Imatinib and Gnf-2, PDB code: 3k5v was solved by S.W.Cowan-Jacob, G.Fendrich, G.Rummel, A.Strauss, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 38.95 / 1.74
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 42.070, 65.268, 66.259, 72.82, 80.25, 84.86
R / Rfree (%) 19.9 / 23.1

Other elements in 3k5v:

The structure of Structure of Abl Kinase in Complex with Imatinib and Gnf-2 also contains other interesting chemical elements:

Fluorine (F) 6 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Structure of Abl Kinase in Complex with Imatinib and Gnf-2 (pdb code 3k5v). 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 Abl Kinase in Complex with Imatinib and Gnf-2, PDB code: 3k5v:

Chlorine binding site 1 out of 1 in 3k5v

Go back to Chlorine Binding Sites List in 3k5v
Chlorine binding site 1 out of 1 in the Structure of Abl Kinase in Complex with Imatinib and Gnf-2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Abl Kinase in Complex with Imatinib and Gnf-2 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl5

b:33.4
occ:1.00
O A:HOH679 2.8 50.6 1.0
O A:HOH660 3.0 50.1 1.0
O A:HOH643 3.2 35.0 1.0
N A:ILE379 3.2 18.5 1.0
C50 A:STI2 3.7 22.6 1.0
CA A:PHE378 3.7 20.1 1.0
CD2 A:PHE378 3.7 25.8 1.0
O A:ILE379 3.9 21.9 1.0
C A:PHE378 4.0 19.2 1.0
CG1 A:ILE379 4.0 17.0 0.3
CB A:PHE378 4.2 20.2 1.0
CA A:ILE379 4.2 19.6 0.7
CB A:ILE379 4.2 19.1 0.7
CA A:ILE379 4.3 18.8 0.3
C54 A:STI2 4.3 24.2 1.0
CG A:PHE378 4.4 22.7 1.0
O A:ASN377 4.4 24.4 1.0
N51 A:STI2 4.4 22.3 1.0
CG1 A:ILE379 4.5 23.0 0.7
C A:ILE379 4.5 19.0 1.0
C49 A:STI2 4.6 22.4 1.0
CB A:ILE379 4.6 18.4 0.3
CE2 A:PHE378 4.7 28.1 1.0
CD1 A:ILE379 4.8 23.5 0.7
N A:PHE378 4.9 20.8 1.0

Reference:

J.Zhang, F.J.Adrian, W.Jahnke, S.W.Cowan-Jacob, A.G.Li, R.E.Iacob, T.Sim, J.Powers, C.Dierks, F.Sun, G.R.Guo, Q.Ding, B.Okram, Y.Choi, A.Wojciechowski, X.Deng, G.Liu, G.Fendrich, A.Strauss, N.Vajpai, S.Grzesiek, T.Tuntland, Y.Liu, B.Bursulaya, M.Azam, P.W.Manley, J.R.Engen, G.Q.Daley, M.Warmuth, N.S.Gray. Targeting Bcr-Abl By Combining Allosteric with Atp-Binding-Site Inhibitors. Nature V. 463 501 2010.
ISSN: ISSN 0028-0836
PubMed: 20072125
DOI: 10.1038/NATURE08675
Page generated: Fri Jul 11 06:52:32 2025

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