Chlorine in PDB 5lvp: Human PDK1 Kinase Domain in Complex with An Hm-Peptide Bound to the Pif-Pocket

All present enzymatic activity of Human PDK1 Kinase Domain in Complex with An Hm-Peptide Bound to the Pif-Pocket:
2.7.11.1;

The structure of Human PDK1 Kinase Domain in Complex with An Hm-Peptide Bound to the Pif-Pocket, PDB code: 5lvp was solved by J.O.Schulze, G.Saladino, K.Busschots, S.Neimanis, E.Suess, D.Odadzic, S.Zeuzem, V.Hindie, A.K.Herbrand, M.N.Lisa, P.M.Alzari, F.L.Gervasio, R.M.Biondi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	94.75 / 2.50
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	47.830, 168.510, 94.880, 90.00, 93.06, 90.00
R / Rfree (%)	17.4 / 22.6

The binding sites of Chlorine atom in the Human PDK1 Kinase Domain in Complex with An Hm-Peptide Bound to the Pif-Pocket (pdb code 5lvp). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Human PDK1 Kinase Domain in Complex with An Hm-Peptide Bound to the Pif-Pocket, PDB code: 5lvp:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Human PDK1 Kinase Domain in Complex with An Hm-Peptide 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 Human PDK1 Kinase Domain in Complex with An Hm-Peptide Bound to the Pif-Pocket within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl402 b:76.2 occ:1.00 NZ B:LYS144 3.9 73.2 1.0 OH B:TYR146 3.9 45.5 1.0 CE2 B:TYR146 4.3 39.7 1.0 OH A:TYR146 4.4 46.7 1.0 CE2 A:TYR146 4.4 39.4 1.0 CZ B:TYR146 4.6 44.3 1.0 CD B:LYS144 4.8 63.0 1.0 CZ A:TYR146 4.9 46.4 1.0 CE B:LYS144 4.9 68.4 1.0

Chlorine binding site 2 out of 2 in the Human PDK1 Kinase Domain in Complex with An Hm-Peptide 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 2 of Human PDK1 Kinase Domain in Complex with An Hm-Peptide Bound to the Pif-Pocket within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl402 b:64.6 occ:1.00 NZ C:LYS144 3.7 66.1 1.0 OH C:TYR146 3.9 46.8 1.0 OH D:TYR146 4.0 40.4 1.0 CE2 C:TYR146 4.1 37.4 1.0 CE2 D:TYR146 4.1 35.0 1.0 NZ D:LYS144 4.5 74.7 1.0 CZ C:TYR146 4.5 42.1 1.0 CZ D:TYR146 4.6 42.1 1.0 CD C:LYS144 4.6 65.9 1.0 CD D:LYS144 4.7 59.9 1.0 CE C:LYS144 4.7 65.0 1.0 CE D:LYS144 4.9 66.7 1.0

J.O.Schulze, G.Saladino, K.Busschots, S.Neimanis, E.Su, D.Odadzic, S.Zeuzem, V.Hindie, A.K.Herbrand, M.N.Lisa, P.M.Alzari, F.L.Gervasio, R.M.Biondi. Bidirectional Allosteric Communication Between the Atp-Binding Site and the Regulatory Pif Pocket in PDK1 Protein Kinase. Cell Chem Biol V. 23 1193 2016.
ISSN: ESSN 2451-9456
PubMed: 27693059
DOI: 10.1016/J.CHEMBIOL.2016.06.017