Chlorine in PDB 4xey: Crystal Structure of An SH2-Kinase Domain Construct of C-Abl Tyrosine Kinase

All present enzymatic activity of Crystal Structure of An SH2-Kinase Domain Construct of C-Abl Tyrosine Kinase:
2.7.10.2;

The structure of Crystal Structure of An SH2-Kinase Domain Construct of C-Abl Tyrosine Kinase, PDB code: 4xey was solved by S.Lorenz, P.Deng, J.Kuriyan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.80 / 2.89
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	114.118, 125.449, 56.232, 90.00, 90.00, 90.00
R / Rfree (%)	23.1 / 25.9

The binding sites of Chlorine atom in the Crystal Structure of An SH2-Kinase Domain Construct of C-Abl Tyrosine Kinase (pdb code 4xey). 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 An SH2-Kinase Domain Construct of C-Abl Tyrosine Kinase, PDB code: 4xey:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of An SH2-Kinase Domain Construct of C-Abl Tyrosine Kinase


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 An SH2-Kinase Domain Construct of C-Abl Tyrosine Kinase within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl601 b:54.7 occ:1.00 CL B:1N1601 0.0 54.7 1.0 C5 B:1N1601 1.8 43.9 1.0 C6 B:1N1601 2.7 43.0 1.0 C4 B:1N1601 2.8 40.5 1.0 N2 B:1N1601 3.1 38.2 1.0 OG1 B:THR334 3.3 35.0 1.0 N B:LYS290 3.4 43.0 1.0 O B:ALA288 3.4 38.3 1.0 C3 B:1N1601 3.5 34.5 1.0 O B:ILE332 3.5 42.2 1.0 O B:1N1601 3.6 33.4 1.0 C B:ALA288 3.6 38.9 1.0 CB B:LYS290 3.7 46.4 1.0 CG2 B:THR334 3.8 38.3 1.0 N B:VAL289 3.9 38.5 1.0 CB B:ALA288 3.9 36.8 1.0 C B:VAL289 3.9 41.9 1.0 C9 B:1N1601 4.0 37.1 1.0 CA B:VAL289 4.0 40.5 1.0 C7 B:1N1601 4.0 41.5 1.0 CA B:LYS290 4.1 45.9 1.0 CB B:THR334 4.1 37.4 1.0 N B:THR334 4.2 39.2 1.0 CA B:ALA288 4.4 37.8 1.0 C B:ILE332 4.5 43.7 1.0 C8 B:1N1601 4.5 39.6 1.0 C2 B:1N1601 4.6 32.1 1.0 CA B:THR334 4.8 38.5 1.0 O B:VAL289 4.8 41.1 1.0 CG B:LYS290 4.8 47.5 1.0 CG1 B:VAL275 4.8 41.0 1.0 CG2 B:ILE332 4.8 43.0 1.0 C B:ILE333 4.9 39.5 1.0 CA B:ILE333 5.0 40.7 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of An SH2-Kinase Domain Construct of C-Abl Tyrosine Kinase


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 An SH2-Kinase Domain Construct of C-Abl Tyrosine Kinase within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl601 b:60.7 occ:1.00 CL A:1N1601 0.0 60.7 1.0 C5 A:1N1601 1.8 51.4 1.0 C6 A:1N1601 2.7 50.3 1.0 C4 A:1N1601 2.8 49.2 1.0 N2 A:1N1601 3.0 49.0 1.0 OG1 A:THR334 3.3 49.4 1.0 N A:LYS290 3.5 58.9 1.0 O A:ALA288 3.5 57.1 1.0 O A:ILE332 3.5 57.9 1.0 C3 A:1N1601 3.6 47.8 1.0 CG2 A:THR334 3.7 50.4 1.0 CB A:LYS290 3.7 57.9 1.0 C A:ALA288 3.8 57.9 1.0 O A:1N1601 3.8 49.7 1.0 C A:VAL289 4.0 58.8 1.0 N A:VAL289 4.0 57.4 1.0 CB A:ALA288 4.0 54.2 1.0 C9 A:1N1601 4.0 45.3 1.0 C7 A:1N1601 4.0 48.4 1.0 CB A:THR334 4.1 50.4 1.0 CA A:VAL289 4.1 59.0 1.0 CA A:LYS290 4.2 59.2 1.0 N A:THR334 4.2 54.0 1.0 C A:ILE332 4.5 58.6 1.0 C8 A:1N1601 4.5 46.9 1.0 CA A:ALA288 4.5 57.1 1.0 C2 A:1N1601 4.6 45.7 1.0 CG2 A:ILE332 4.7 55.7 1.0 CA A:THR334 4.7 52.5 1.0 CG A:LYS290 4.8 58.0 1.0 CG1 A:VAL275 4.8 58.5 1.0 C A:ILE333 4.8 53.4 1.0 O A:VAL289 4.9 58.5 1.0 CA A:ILE333 5.0 56.2 1.0

S.G.Lorenz, P.Deng, O.Hantschel, G.Superti-Furga, J.Kuriyan. Crystal Structure of An SH2-Kinase Construct of C-Abl and Effect of the SH2 Domain on Kinase Activity. Biochem.J. 2015.
ISSN: ESSN 1470-8728
PubMed: 25779001
DOI: 10.1042/BJ20141492