Chlorine in PDB 3sxr: Crystal Structure of Bmx Non-Receptor Tyrosine Kinase Complex with Dasatinib

All present enzymatic activity of Crystal Structure of Bmx Non-Receptor Tyrosine Kinase Complex with Dasatinib:
2.7.10.2;

The structure of Crystal Structure of Bmx Non-Receptor Tyrosine Kinase Complex with Dasatinib, PDB code: 3sxr was solved by J.Sack, J.Muckelbauer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.22 / 2.40
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	58.680, 67.130, 169.290, 90.00, 90.00, 90.00
R / Rfree (%)	18.7 / 23.1

The binding sites of Chlorine atom in the Crystal Structure of Bmx Non-Receptor Tyrosine Kinase Complex with Dasatinib (pdb code 3sxr). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Bmx Non-Receptor Tyrosine Kinase Complex with Dasatinib, PDB code: 3sxr:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Bmx Non-Receptor Tyrosine Kinase Complex with Dasatinib


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 Bmx Non-Receptor Tyrosine Kinase Complex with Dasatinib within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1 b:46.7 occ:1.00 CL A:1N11 0.0 46.7 1.0 C5 A:1N11 1.7 36.4 1.0 C6 A:1N11 2.7 33.1 1.0 C4 A:1N11 2.7 27.9 1.0 N2 A:1N11 3.0 27.6 1.0 O A:ILE487 3.4 26.1 1.0 O A:ALA443 3.5 27.8 1.0 OG1 A:THR489 3.5 22.8 1.0 N A:LYS445 3.5 24.8 1.0 C A:ALA443 3.7 27.2 1.0 C3 A:1N11 3.7 26.6 1.0 CB A:LYS445 3.8 27.0 1.0 CG2 A:THR489 3.8 19.0 1.0 N A:VAL444 4.0 23.8 1.0 CB A:ALA443 4.0 24.8 1.0 C7 A:1N11 4.0 29.6 1.0 O A:1N11 4.0 28.7 1.0 C9 A:1N11 4.0 21.3 1.0 C A:VAL444 4.0 27.5 1.0 CA A:VAL444 4.1 23.3 1.0 CB A:THR489 4.1 21.3 1.0 N A:THR489 4.2 21.5 1.0 CA A:LYS445 4.2 24.5 1.0 C A:ILE487 4.3 27.7 1.0 CG1 A:VAL431 4.4 35.5 1.0 CA A:ALA443 4.5 24.2 1.0 C8 A:1N11 4.5 27.4 1.0 C A:VAL488 4.7 23.2 1.0 C2 A:1N11 4.8 22.5 1.0 CA A:THR489 4.8 21.7 1.0 CA A:VAL488 4.8 20.9 1.0 CG A:LYS445 4.9 39.8 1.0 N A:VAL488 4.9 22.1 1.0 O A:VAL444 4.9 27.2 1.0 CB A:ILE487 5.0 31.1 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Bmx Non-Receptor Tyrosine Kinase Complex with Dasatinib


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Bmx Non-Receptor Tyrosine Kinase Complex with Dasatinib within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl2 b:50.7 occ:1.00 CL B:1N12 0.0 50.7 1.0 C5 B:1N12 1.7 36.7 1.0 C6 B:1N12 2.7 31.6 1.0 C4 B:1N12 2.7 28.4 1.0 N2 B:1N12 3.0 24.1 1.0 N B:LYS445 3.5 25.9 1.0 O B:ILE487 3.5 21.3 1.0 OG1 B:THR489 3.5 26.8 1.0 O B:ALA443 3.6 22.7 1.0 CB B:LYS445 3.7 27.7 1.0 C3 B:1N12 3.7 23.7 1.0 C B:ALA443 3.8 25.0 1.0 CG2 B:THR489 3.8 23.3 1.0 C7 B:1N12 4.0 30.4 1.0 O B:1N12 4.0 25.8 1.0 C9 B:1N12 4.0 22.6 1.0 N B:VAL444 4.0 23.3 1.0 CB B:ALA443 4.0 23.2 1.0 C B:VAL444 4.0 29.1 1.0 CA B:LYS445 4.1 25.8 1.0 CA B:VAL444 4.2 23.8 1.0 CB B:THR489 4.2 27.4 1.0 N B:THR489 4.3 21.6 1.0 CG1 B:VAL431 4.3 34.5 1.0 C B:ILE487 4.4 24.5 1.0 C8 B:1N12 4.5 25.1 1.0 CA B:ALA443 4.5 22.9 1.0 CG B:LYS445 4.8 32.4 1.0 C2 B:1N12 4.8 23.6 1.0 C B:VAL488 4.8 22.4 1.0 CA B:THR489 4.9 22.3 1.0 CA B:VAL488 4.9 18.2 1.0 O B:VAL444 4.9 29.0 1.0 N B:VAL488 5.0 19.6 1.0

J.Muckelbauer, J.S.Sack, N.Ahmed, J.Burke, C.Y.Chang, M.Gao, J.Tino, D.Xie, A.J.Tebben. X-Ray Crystal Structure of Bone Marrow Kinase in the X Chromosome: A Tec Family Kinase. Chem.Biol.Drug Des. V. 78 739 2011.
ISSN: ISSN 1747-0277
PubMed: 21883956
DOI: 10.1111/J.1747-0285.2011.01230.X