Chlorine in PDB 2cdz: Crystal Structure of the Human P21-Activated Kinase 4 in Complex with CGP74514A

All present enzymatic activity of Crystal Structure of the Human P21-Activated Kinase 4 in Complex with CGP74514A:
2.7.1.37;

The structure of Crystal Structure of the Human P21-Activated Kinase 4 in Complex with CGP74514A, PDB code: 2cdz was solved by J.E.Debreczeni, E.Ugochukwu, J.Eswaran, P.Filippakopoulos, S.Das, O.Fedorov, M.Sundstrom, C.Arrowsmith, J.Weigelt, A.Edwards, F.Von Delft, S.Knapp, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	103.14 / 2.30
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	145.817, 145.817, 42.382, 90.00, 90.00, 90.00
R / Rfree (%)	20 / 24.8

The binding sites of Chlorine atom in the Crystal Structure of the Human P21-Activated Kinase 4 in Complex with CGP74514A (pdb code 2cdz). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of the Human P21-Activated Kinase 4 in Complex with CGP74514A, PDB code: 2cdz:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of the Human P21-Activated Kinase 4 in Complex with CGP74514A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of the Human P21-Activated Kinase 4 in Complex with CGP74514A within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1591 b:61.6 occ:1.00 CL1 A:23D1591 0.0 61.6 1.0 CAQ A:23D1591 1.7 52.4 1.0 CAP A:23D1591 2.7 45.6 1.0 CAS A:23D1591 2.7 45.0 1.0 O A:ILE327 3.6 44.1 1.0 CAO A:23D1591 4.0 49.5 1.0 CAM A:23D1591 4.0 46.0 1.0 O A:HOH2029 4.2 33.4 1.0 CB A:ILE327 4.2 44.7 1.0 CAN A:23D1591 4.5 46.8 1.0 C A:ILE327 4.6 41.8 1.0 N1 A:23D1591 4.7 38.0 1.0 CA A:ILE327 4.9 42.5 1.0 N2 A:23D1591 4.9 46.7 1.0 CD1 A:ILE327 4.9 44.4 1.0 CG2 A:ILE327 5.0 42.1 1.0 CG1 A:ILE327 5.0 42.5 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of the Human P21-Activated Kinase 4 in Complex with CGP74514A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of the Human P21-Activated Kinase 4 in Complex with CGP74514A within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1594 b:69.3 occ:1.00 NH1 A:ARG551 2.9 39.6 0.5 O A:HOH2095 3.4 35.8 1.0 NE2 A:HIS569 3.8 28.5 1.0 CA A:GLY547 3.9 33.2 1.0 C A:GLY547 4.1 34.7 1.0 O A:GLY547 4.2 36.7 1.0 CZ A:ARG551 4.2 37.9 0.5 CE1 A:HIS569 4.5 30.4 1.0 CD2 A:HIS569 4.8 34.6 1.0 N A:PHE548 4.8 32.9 1.0 NH2 A:ARG551 4.9 38.0 0.5

J.Eswaran, W.H.Lee, J.E.Debreczeni, P.Filippakopoulos, A.Turnbull, O.Fedorov, S.W.Deacon, J.R.Peterson, S.Knapp. Crystal Structures of the P21-Activated Kinases PAK4, PAK5, and PAK6 Reveal Catalytic Domain Plasticity of Active Group II Paks. Structure V. 15 201 2007.
ISSN: ISSN 0969-2126
PubMed: 17292838
DOI: 10.1016/J.STR.2007.01.001