Chlorine in PDB 3hrf: Crystal Structure of Human PDK1 Kinase Domain in Complex with An Allosteric Activator Bound to the Pif-Pocket

The structure of Crystal Structure of Human PDK1 Kinase Domain in Complex with An Allosteric Activator Bound to the Pif-Pocket, PDB code: 3hrf was solved by V.Hindie, P.M.Alzari, R.M.Biondi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.47 / 1.90
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	148.550, 44.000, 47.240, 90.00, 100.42, 90.00
R / Rfree (%)	16.5 / 17.7

The binding sites of Chlorine atom in the Crystal Structure of Human PDK1 Kinase Domain in Complex with An Allosteric Activator Bound to the Pif-Pocket (pdb code 3hrf). 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 Crystal Structure of Human PDK1 Kinase Domain in Complex with An Allosteric Activator Bound to the Pif-Pocket, PDB code: 3hrf:

Chlorine binding site 1 out of 1 in the Crystal Structure of Human PDK1 Kinase Domain in Complex with An Allosteric Activator Bound to the Pif-Pocket


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 Human PDK1 Kinase Domain in Complex with An Allosteric Activator Bound to the Pif-Pocket within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1374 b:33.9 occ:0.80 CLAC A:P471374 0.0 33.9 0.8 CAR A:P471374 1.8 31.0 0.8 CAH A:P471374 2.7 29.9 0.8 CAI A:P471374 2.8 30.2 0.8 CD1 A:ILE119 3.6 17.8 1.0 CG1 A:ILE119 3.6 18.1 1.0 CG A:LYS115 3.7 8.7 1.0 CAL A:P471374 4.0 28.6 0.8 CAM A:P471374 4.1 29.0 0.8 CB A:LYS115 4.1 10.5 1.0 CD1 A:ILE118 4.1 18.6 1.0 CG2 A:VAL124 4.2 18.6 1.0 O A:LYS115 4.3 11.6 1.0 CA A:LYS115 4.3 10.6 1.0 CG1 A:ILE118 4.4 18.0 1.0 CD A:LYS115 4.5 9.6 1.0 CAS A:P471374 4.6 27.8 0.8 C A:LYS115 4.7 11.7 1.0 CD1 A:LEU155 4.8 13.2 1.0 CE A:LYS115 4.9 10.8 1.0

V.Hindie, A.Stroba, H.Zhang, L.A.Lopez-Garcia, L.Idrissova, S.Zeuzem, D.Hirschberg, F.Schaeffer, T.J.Jrgensen, M.Engel, P.M.Alzari, R.M.Biondi. Structure and Allosteric Effects of Low-Molecular-Weight Activators on the Protein Kinase PDK1. Nat.Chem.Biol. V. 5 758 2009.
ISSN: ISSN 1552-4450
PubMed: 19718043
DOI: 10.1038/NCHEMBIO.208