Chlorine in PDB 1opl: 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: 1opl 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)	29.95 / 3.42
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	77.017, 273.384, 124.384, 90.00, 90.00, 90.00
R / Rfree (%)	30.6 / 31.5

The binding sites of Chlorine atom in the Structural Basis For the Auto-Inhibition of C-Abl Tyrosine Kinase (pdb code 1opl). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Structural Basis For the Auto-Inhibition of C-Abl Tyrosine Kinase, PDB code: 1opl:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 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:Cl539 b:97.4 occ:1.00 CL28 A:P16539 0.0 97.4 1.0 C27 A:P16539 1.7 88.2 1.0 C26 A:P16539 2.7 86.9 1.0 C22 A:P16539 2.8 86.2 1.0 C17 A:P16539 3.1 83.0 1.0 CD2 A:PHE401 3.5 89.1 1.0 C18 A:P16539 3.6 83.1 1.0 CB A:ALA399 3.6 48.9 1.0 N A:ASP400 3.6 62.8 1.0 CA A:ALA399 3.7 52.6 1.0 C16 A:P16539 3.8 82.4 1.0 O21 A:P16539 3.8 84.8 1.0 OD1 A:ASP400 4.1 77.3 1.0 C23 A:P16539 4.1 85.5 1.0 C A:ALA399 4.1 57.6 1.0 C25 A:P16539 4.1 85.1 1.0 N A:PHE401 4.1 76.5 1.0 CG2 A:VAL318 4.2 57.8 1.0 CE2 A:PHE401 4.3 91.1 1.0 CB A:VAL318 4.3 62.5 1.0 CB A:PHE401 4.4 82.9 1.0 CG A:PHE401 4.4 87.5 1.0 CG1 A:VAL318 4.5 56.2 1.0 N19 A:P16539 4.6 83.6 1.0 C24 A:P16539 4.6 85.2 1.0 CA A:ASP400 4.7 68.2 1.0 C A:ASP400 4.7 71.5 1.0 C13 A:P16539 4.7 82.7 1.0 CD1 A:LEU389 4.8 39.6 1.0 CA A:PHE401 4.8 79.5 1.0

Chlorine binding site 2 out of 4 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:Cl539 b:89.4 occ:1.00 CL29 A:P16539 0.0 89.4 1.0 C23 A:P16539 1.7 85.5 1.0 C24 A:P16539 2.7 85.2 1.0 C22 A:P16539 2.8 86.2 1.0 C17 A:P16539 3.1 83.0 1.0 C16 A:P16539 3.5 82.4 1.0 N A:LYS290 3.6 73.8 1.0 CB A:LYS290 3.7 77.0 1.0 C18 A:P16539 3.8 83.1 1.0 CG1 A:VAL275 3.8 70.0 1.0 C A:VAL289 3.9 73.0 1.0 CB A:ALA288 4.0 74.7 1.0 C25 A:P16539 4.0 85.1 1.0 C A:ALA288 4.1 78.9 1.0 C27 A:P16539 4.1 88.2 1.0 CG2 A:VAL275 4.1 68.1 1.0 O A:ALA288 4.1 82.4 1.0 CA A:LYS290 4.1 77.6 1.0 N A:VAL289 4.1 76.8 1.0 O21 A:P16539 4.2 84.8 1.0 OG1 A:THR334 4.2 55.1 1.0 O A:ILE332 4.2 84.0 1.0 CG2 A:THR334 4.3 54.4 1.0 CA A:VAL289 4.3 73.5 1.0 O A:VAL289 4.5 71.3 1.0 C13 A:P16539 4.5 82.7 1.0 CB A:VAL275 4.5 71.6 1.0 C26 A:P16539 4.6 86.9 1.0 CA A:ALA288 4.7 79.1 1.0 N19 A:P16539 4.7 83.6 1.0 CE A:LYS290 4.9 82.6 1.0 CB A:THR334 4.9 61.2 1.0 CG A:LYS290 4.9 80.0 1.0

Chlorine binding site 3 out of 4 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 3 of Structural Basis For the Auto-Inhibition of C-Abl Tyrosine Kinase within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl538 b:0.4 occ:1.00 CL28 B:P16538 0.0 0.4 1.0 C27 B:P16538 1.7 0.4 1.0 C26 B:P16538 2.7 0.4 1.0 C22 B:P16538 2.8 0.4 1.0 CB B:ALA399 3.0 0.8 1.0 C17 B:P16538 3.1 0.4 1.0 CD2 B:PHE401 3.4 0.8 1.0 CA B:ALA399 3.6 0.8 1.0 C18 B:P16538 3.6 0.4 1.0 C16 B:P16538 3.8 0.4 1.0 O21 B:P16538 3.8 0.4 1.0 N B:ASP400 3.9 0.8 1.0 CE2 B:PHE401 4.0 0.8 1.0 CG2 B:VAL318 4.0 0.2 1.0 C23 B:P16538 4.1 0.4 1.0 C25 B:P16538 4.1 0.4 1.0 C B:ALA399 4.1 0.8 1.0 CB B:VAL318 4.2 0.2 1.0 CD1 B:LEU389 4.4 0.8 1.0 CG B:PHE401 4.4 0.8 1.0 CG1 B:VAL318 4.4 0.2 1.0 N B:PHE401 4.5 0.8 1.0 OD1 B:ASP400 4.6 0.8 1.0 N19 B:P16538 4.6 0.4 1.0 CB B:PHE401 4.6 0.8 1.0 C24 B:P16538 4.6 0.4 1.0 C13 B:P16538 4.7 0.4 1.0 N B:ALA399 4.8 0.8 1.0

Chlorine binding site 4 out of 4 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 4 of Structural Basis For the Auto-Inhibition of C-Abl Tyrosine Kinase within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl538 b:0.4 occ:1.00 CL29 B:P16538 0.0 0.4 1.0 C23 B:P16538 1.7 0.4 1.0 C24 B:P16538 2.7 0.4 1.0 C22 B:P16538 2.8 0.4 1.0 C17 B:P16538 3.1 0.4 1.0 C16 B:P16538 3.5 0.4 1.0 C18 B:P16538 3.8 0.4 1.0 CG1 B:VAL275 3.8 0.2 1.0 CB B:ALA288 3.9 0.2 1.0 N B:LYS290 3.9 0.2 1.0 CB B:LYS290 3.9 0.2 1.0 OG1 B:THR334 4.0 0.2 1.0 C25 B:P16538 4.0 0.4 1.0 C27 B:P16538 4.1 0.4 1.0 CG2 B:VAL275 4.1 0.2 1.0 C B:ALA288 4.1 0.2 1.0 O21 B:P16538 4.2 0.4 1.0 CG2 B:THR334 4.2 0.2 1.0 O B:ALA288 4.2 0.2 1.0 C B:VAL289 4.2 0.2 1.0 N B:VAL289 4.3 0.2 1.0 CA B:LYS290 4.4 0.2 1.0 O B:ILE332 4.4 0.2 1.0 CA B:VAL289 4.5 0.2 1.0 C13 B:P16538 4.5 0.4 1.0 C26 B:P16538 4.6 0.4 1.0 CB B:VAL275 4.6 0.2 1.0 CA B:ALA288 4.7 0.2 1.0 N19 B:P16538 4.7 0.4 1.0 O B:VAL289 4.7 0.2 1.0 CB B:THR334 4.7 0.2 1.0 CE B:LYS290 5.0 0.2 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