Chlorine in PDB 1opk: 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: 1opk 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)	37.59 / 1.80
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	118.328, 123.943, 74.798, 90.00, 90.00, 90.00
R / Rfree (%)	19.6 / 22.1

The binding sites of Chlorine atom in the Structural Basis For the Auto-Inhibition of C-Abl Tyrosine Kinase (pdb code 1opk). 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: 1opk:
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:Cl2 b:31.5 occ:1.00 CL28 A:P162 0.0 31.5 1.0 C27 A:P162 1.7 26.3 1.0 C26 A:P162 2.7 25.6 1.0 C22 A:P162 2.8 23.6 1.0 C17 A:P162 3.1 22.6 1.0 N A:ASP400 3.6 27.1 1.0 C18 A:P162 3.6 22.0 1.0 CB A:ALA399 3.6 25.8 1.0 CA A:ALA399 3.6 24.1 1.0 CD2 A:PHE401 3.8 38.8 1.0 C16 A:P162 3.8 20.1 1.0 O21 A:P162 3.8 23.1 1.0 OD1 A:ASP400 3.9 32.5 1.0 C A:ALA399 4.0 25.8 1.0 CG2 A:VAL318 4.0 23.0 1.0 C23 A:P162 4.1 24.8 1.0 C25 A:P162 4.1 26.4 1.0 CB A:VAL318 4.1 22.8 1.0 N A:PHE401 4.2 28.9 1.0 CG1 A:VAL318 4.3 24.9 1.0 CE2 A:PHE401 4.5 40.5 1.0 N19 A:P162 4.6 22.1 1.0 CB A:PHE401 4.6 32.0 1.0 C24 A:P162 4.6 25.7 1.0 CG A:PHE401 4.6 36.5 1.0 CA A:ASP400 4.7 28.6 1.0 CD1 A:LEU389 4.7 21.1 1.0 C13 A:P162 4.7 20.8 1.0 C A:ASP400 4.7 29.1 1.0 CG A:ASP400 5.0 31.9 1.0 N A:ALA399 5.0 20.0 1.0 CA A:PHE401 5.0 29.9 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 A:Cl2 b:26.8 occ:1.00 CL29 A:P162 0.0 26.8 1.0 C23 A:P162 1.7 24.8 1.0 C24 A:P162 2.7 25.7 1.0 C22 A:P162 2.8 23.6 1.0 C17 A:P162 3.1 22.6 1.0 C16 A:P162 3.5 20.1 1.0 N A:LYS290 3.6 23.2 1.0 C18 A:P162 3.8 22.0 1.0 CB A:ALA288 3.8 21.8 1.0 CB A:LYS290 3.8 25.3 1.0 C A:ALA288 3.9 22.7 1.0 CG1 A:VAL275 3.9 24.5 1.0 C A:VAL289 3.9 21.9 1.0 O A:ALA288 3.9 23.2 1.0 OG1 A:THR334 4.0 22.2 1.0 N A:VAL289 4.0 22.6 1.0 C25 A:P162 4.0 26.4 1.0 C27 A:P162 4.1 26.3 1.0 CG2 A:THR334 4.1 23.2 1.0 O A:ILE332 4.1 24.6 1.0 O21 A:P162 4.2 23.1 1.0 CA A:VAL289 4.2 22.3 1.0 CA A:LYS290 4.2 25.5 1.0 CG2 A:VAL275 4.2 23.8 1.0 O A:VAL289 4.5 23.9 1.0 C13 A:P162 4.5 20.8 1.0 CA A:ALA288 4.5 21.3 1.0 C26 A:P162 4.6 25.6 1.0 CB A:VAL275 4.7 24.1 1.0 N19 A:P162 4.7 22.1 1.0 CB A:THR334 4.7 22.2 1.0 N A:THR334 4.9 22.3 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