Chlorine in PDB 4zsg: Mitogen Activated Protein Kinase 7 in Complex with Inhibitor

All present enzymatic activity of Mitogen Activated Protein Kinase 7 in Complex with Inhibitor:
2.7.11.24;

The structure of Mitogen Activated Protein Kinase 7 in Complex with Inhibitor, PDB code: 4zsg was solved by J.Tucker, D.J.Ogg, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 1.79
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	92.530, 92.530, 107.480, 90.00, 90.00, 90.00
R / Rfree (%)	20.4 / 23.5

The binding sites of Chlorine atom in the Mitogen Activated Protein Kinase 7 in Complex with Inhibitor (pdb code 4zsg). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Mitogen Activated Protein Kinase 7 in Complex with Inhibitor, PDB code: 4zsg:

Chlorine binding site 1 out of 1 in the Mitogen Activated Protein Kinase 7 in Complex with Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Mitogen Activated Protein Kinase 7 in Complex with Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl406 b:45.9 occ:1.00 CL A:4QX406 0.0 45.9 1.0 C9 A:4QX406 1.7 39.9 1.0 C10 A:4QX406 2.7 36.3 1.0 C8 A:4QX406 2.7 38.3 1.0 H13 A:4QX406 2.8 37.5 1.0 H12 A:4QX406 2.8 37.8 1.0 CD1 A:ILE117 3.5 46.5 1.0 CD2 A:LEU103 3.5 41.9 1.0 CG1 A:VAL135 3.6 40.0 1.0 CG1 A:ILE117 3.8 37.2 1.0 CD1 A:LEU106 3.8 34.5 1.0 CA A:LEU103 3.8 30.7 1.0 CG A:LEU103 3.8 39.6 1.0 C11 A:4QX406 4.0 36.9 1.0 C7 A:4QX406 4.0 32.5 1.0 CG2 A:VAL135 4.0 40.7 1.0 N A:LEU103 4.0 31.0 1.0 CG A:GLU102 4.2 38.7 1.0 O A:GLU102 4.2 31.6 1.0 C A:GLU102 4.2 33.6 1.0 CB A:VAL135 4.4 39.9 1.0 CB A:LEU103 4.4 32.7 1.0 C6 A:4QX406 4.5 33.0 1.0 CG A:LEU106 4.6 33.7 1.0 CB A:GLU102 4.6 33.1 1.0 CB A:LEU106 4.7 28.7 1.0 H11 A:4QX406 4.8 31.7 1.0 H14 A:4QX406 4.8 35.6 1.0 C A:LEU103 5.0 34.2 1.0 CD2 A:LEU137 5.0 35.8 1.0

H.Chen, J.Tucker, X.Wang, P.R.Gavine, C.Phillips, M.A.Augustin, P.Schreiner, S.Steinbacher, M.Preston, D.Ogg. Discovery of A Novel Allosteric Inhibitor-Binding Site in ERK5: Comparison with the Canonical Kinase Hinge Atp-Binding Site. Acta Crystallogr D Struct V. 72 682 2016BIOL.
ISSN: ISSN 2059-7983
PubMed: 27139631
DOI: 10.1107/S2059798316004502