Chlorine in PDB 3jvr: Characterization of the CHK1 Allosteric Inhibitor Binding Site

All present enzymatic activity of Characterization of the CHK1 Allosteric Inhibitor Binding Site:
2.7.11.1;

The structure of Characterization of the CHK1 Allosteric Inhibitor Binding Site, PDB code: 3jvr was solved by P.Chen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.00 / 1.76
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	44.763, 65.362, 57.916, 90.00, 93.67, 90.00
R / Rfree (%)	n/a / n/a

The binding sites of Chlorine atom in the Characterization of the CHK1 Allosteric Inhibitor Binding Site (pdb code 3jvr). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Characterization of the CHK1 Allosteric Inhibitor Binding Site, PDB code: 3jvr:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Characterization of the CHK1 Allosteric Inhibitor Binding Site


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Characterization of the CHK1 Allosteric Inhibitor Binding Site within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl901 b:22.4 occ:1.00 CL A:AGX901 0.0 22.4 1.0 C13 A:AGX901 1.7 22.8 1.0 C14 A:AGX901 2.7 21.4 1.0 C12 A:AGX901 2.8 21.1 1.0 CL1 A:AGX901 3.3 22.1 1.0 OH A:TYR173 3.5 18.7 1.0 CG A:PRO133 3.9 13.1 1.0 CD2 A:PHE93 3.9 22.2 1.0 CD1 A:ILE96 3.9 19.2 1.0 CE2 A:PHE93 3.9 24.0 1.0 O A:HOH634 4.0 25.9 1.0 C9 A:AGX901 4.1 21.6 1.0 C11 A:AGX901 4.1 22.4 1.0 CB A:ALA200 4.1 15.9 1.0 CB A:PRO133 4.4 13.2 1.0 CD2 A:LEU206 4.5 20.3 1.0 CD A:PRO133 4.5 14.0 1.0 C10 A:AGX901 4.6 20.6 1.0 CG A:LEU206 4.7 18.4 1.0 CG A:PHE93 4.8 21.6 1.0 CZ A:PHE93 4.8 23.7 1.0 CZ A:TYR173 4.9 17.4 1.0 CD1 A:LEU206 4.9 19.4 1.0 CG2 A:ILE96 5.0 18.7 1.0

Chlorine binding site 2 out of 2 in the Characterization of the CHK1 Allosteric Inhibitor Binding Site


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Characterization of the CHK1 Allosteric Inhibitor Binding Site within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl901 b:22.1 occ:1.00 CL1 A:AGX901 0.0 22.1 1.0 C12 A:AGX901 1.7 21.1 1.0 C11 A:AGX901 2.7 22.4 1.0 C13 A:AGX901 2.8 22.8 1.0 CL A:AGX901 3.3 22.4 1.0 CA A:GLU205 3.4 20.0 1.0 C A:GLU205 3.5 19.7 1.0 N A:GLU205 3.6 19.1 1.0 C A:GLY204 3.6 19.6 1.0 N A:LEU206 3.6 19.2 1.0 O A:GLY204 3.8 20.1 1.0 CG A:LEU206 3.8 18.4 1.0 CB A:ALA200 4.0 15.9 1.0 C10 A:AGX901 4.0 20.6 1.0 O A:HOH559 4.1 25.1 1.0 C14 A:AGX901 4.1 21.4 1.0 CD2 A:LEU206 4.1 20.3 1.0 O A:GLU205 4.1 19.6 1.0 CA A:GLY204 4.3 18.1 1.0 CA A:ALA200 4.4 16.3 1.0 O A:HOH713 4.5 42.7 1.0 CA A:LEU206 4.5 18.1 1.0 C9 A:AGX901 4.6 21.6 1.0 CG2 A:ILE96 4.6 18.7 1.0 O A:ALA200 4.7 16.8 1.0 CB A:LEU206 4.7 16.6 1.0 CD1 A:LEU206 4.7 19.4 1.0 CB A:GLU205 4.9 23.4 1.0 C A:ALA200 5.0 16.3 1.0

D.Vanderpool, T.O.Johnson, C.Ping, S.Bergqvist, G.Alton, S.Phonephaly, E.Rui, C.Luo, Y.L.Deng, S.Grant, T.Quenzer, S.Margosiak, J.Register, E.Brown, J.Ermolieff. Characterization of the CHK1 Allosteric Inhibitor Binding Site. Biochemistry V. 48 9823 2009.
ISSN: ISSN 0006-2960
PubMed: 19743875
DOI: 10.1021/BI900258V