Zinc in PDB 4xli: Crystal Structure of ABL2/Arg Kinase in Complex with Dasatinib

All present enzymatic activity of Crystal Structure of ABL2/Arg Kinase in Complex with Dasatinib:
2.7.10.2;

The structure of Crystal Structure of ABL2/Arg Kinase in Complex with Dasatinib, PDB code: 4xli was solved by B.H.Ha, T.J.Boggon, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.50 / 2.50
Space group	P 65
Cell size a, b, c (Å), α, β, γ (°)	109.688, 109.688, 121.520, 90.00, 90.00, 120.00
R / Rfree (%)	15.4 / 20.5

The structure of Crystal Structure of ABL2/Arg Kinase in Complex with Dasatinib also contains other interesting chemical elements:

Chlorine

(Cl)

2 atoms

The binding sites of Zinc atom in the Crystal Structure of ABL2/Arg Kinase in Complex with Dasatinib (pdb code 4xli). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total only one binding site of Zinc was determined in the Crystal Structure of ABL2/Arg Kinase in Complex with Dasatinib, PDB code: 4xli:

Zinc binding site 1 out of 1 in the Crystal Structure of ABL2/Arg Kinase in Complex with Dasatinib


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of ABL2/Arg Kinase in Complex with Dasatinib within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn602 b:37.1 occ:1.00 OE2 B:GLU398 1.8 30.9 1.0 OE2 A:GLU398 2.0 36.1 1.0 ND1 A:HIS536 2.1 33.2 1.0 ND1 B:HIS536 2.2 34.9 1.0 OE1 A:GLU398 2.6 34.2 1.0 CD A:GLU398 2.6 34.3 1.0 CD B:GLU398 2.7 34.0 1.0 CE1 A:HIS536 2.8 38.3 1.0 OE1 B:GLU398 2.9 34.4 1.0 CE1 B:HIS536 2.9 36.1 1.0 CG B:HIS536 3.2 36.2 1.0 CG A:HIS536 3.2 41.3 1.0 CB B:HIS536 3.7 35.4 1.0 CB A:HIS536 3.8 35.2 1.0 NE2 A:HIS536 4.0 39.6 1.0 NE2 B:HIS536 4.0 33.9 1.0 CG B:GLU398 4.1 30.7 1.0 CG A:GLU398 4.1 30.2 1.0 CD2 A:HIS536 4.2 37.6 1.0 CD2 B:HIS536 4.2 37.7 1.0 N B:GLN537 4.3 29.4 1.0 O A:ALA533 4.3 47.1 1.0 O B:ALA533 4.4 33.8 1.0 N A:GLN537 4.5 24.8 1.0 C B:HIS536 4.6 30.9 1.0 C A:HIS536 4.7 30.3 1.0 CA B:HIS536 4.8 33.2 1.0 CA B:GLN537 4.8 30.6 1.0 CA A:GLN537 4.9 27.8 1.0 CA A:HIS536 4.9 33.4 1.0

B.H.Ha, M.A.Simpson, A.J.Koleske, T.J.Boggon. Crystal Structure of ABL2/Arg Kinase in Complex with Dasatinib Acta Crystallogr.,Sect.F 2015.
ISSN: ESSN 2053-230X