Chlorine in PDB 1opj: Structural Basis For the Auto-Inhibition of C-Abl Tyrosine Kinase

All present enzymatic activity of Structural Basis For the Auto-Inhibition of C-Abl Tyrosine Kinase:
2.7.1.112;

The structure of Structural Basis For the Auto-Inhibition of C-Abl Tyrosine Kinase, PDB code: 1opj was solved by B.Nagar, O.Hantschel, M.A.Young, K.Scheffzek, D.Veach, W.Bornmann, B.Clarkson, G.Superti-Furga, J.Kuriyan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.41 / 1.75
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	41.844, 63.507, 64.051, 67.91, 79.76, 84.88
R / Rfree (%)	21 / 24.2

The binding sites of Chlorine atom in the Structural Basis For the Auto-Inhibition of C-Abl Tyrosine Kinase (pdb code 1opj). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Structural Basis For the Auto-Inhibition of C-Abl Tyrosine Kinase, PDB code: 1opj:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Structural Basis For the Auto-Inhibition 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 Structural Basis For the Auto-Inhibition of C-Abl Tyrosine Kinase within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl5 b:28.8 occ:1.00 N A:ILE379 3.2 16.6 1.0 C50 A:STI3 3.7 19.2 1.0 CA A:PHE378 3.7 19.4 1.0 O A:ILE379 3.8 20.4 1.0 C A:PHE378 3.9 18.2 1.0 CD2 A:PHE378 4.0 22.8 1.0 CB A:ILE379 4.2 21.3 1.0 C54 A:STI3 4.2 21.1 1.0 CA A:ILE379 4.2 18.6 1.0 CB A:PHE378 4.3 19.2 1.0 N51 A:STI3 4.3 16.7 1.0 O A:ASN377 4.4 22.7 1.0 C49 A:STI3 4.5 18.4 1.0 C A:ILE379 4.5 17.1 1.0 CG1 A:ILE379 4.6 22.5 1.0 CG A:PHE378 4.6 22.3 1.0 N A:PHE378 4.9 20.1 1.0 CE2 A:PHE378 5.0 26.7 1.0

Chlorine binding site 2 out of 2 in the Structural Basis For the Auto-Inhibition 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 Structural Basis For the Auto-Inhibition of C-Abl Tyrosine Kinase within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl6 b:37.7 occ:1.00 N B:ILE379 3.3 26.2 1.0 C50 B:STI4 3.6 26.5 1.0 O B:ILE379 3.8 24.2 1.0 CA B:PHE378 3.9 27.2 1.0 CD2 B:PHE378 4.0 32.8 1.0 C B:PHE378 4.0 25.4 1.0 CB B:ILE379 4.1 27.4 1.0 C54 B:STI4 4.1 27.7 1.0 CA B:ILE379 4.2 24.6 1.0 N51 B:STI4 4.2 27.0 1.0 CB B:PHE378 4.4 28.6 1.0 C49 B:STI4 4.4 27.4 1.0 C B:ILE379 4.5 24.2 1.0 O B:ASN377 4.6 27.5 1.0 CG1 B:ILE379 4.6 29.1 1.0 CG B:PHE378 4.7 31.2 1.0 CE2 B:PHE378 5.0 33.6 1.0

B.Nagar, O.Hantschel, M.A.Young, K.Scheffzek, D.Veach, W.Bornmann, B.Clarkson, G.Superti-Furga, J.Kuriyan. Structural Basis For the Autoinhibition of C-Abl Tyrosine Kinase Cell(Cambridge,Mass.) V. 112 859 2003.
ISSN: ISSN 0092-8674
PubMed: 12654251
DOI: 10.1016/S0092-8674(03)00194-6