Chlorine in PDB 5lvn: Human PDK1 Kinase Domain in Complex with Adenosine Bound to the Atp- Binding Site

All present enzymatic activity of Human PDK1 Kinase Domain in Complex with Adenosine Bound to the Atp- Binding Site:
2.7.11.1;

The structure of Human PDK1 Kinase Domain in Complex with Adenosine Bound to the Atp- Binding Site, PDB code: 5lvn 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)	43.35 / 1.38
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	147.405, 44.320, 47.670, 90.00, 101.44, 90.00
R / Rfree (%)	13.4 / 16.2

The binding sites of Chlorine atom in the Human PDK1 Kinase Domain in Complex with Adenosine Bound to the Atp- Binding Site (pdb code 5lvn). 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 Human PDK1 Kinase Domain in Complex with Adenosine Bound to the Atp- Binding Site, PDB code: 5lvn:

Chlorine binding site 1 out of 1 in the Human PDK1 Kinase Domain in Complex with Adenosine Bound to the Atp- Binding Site


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 Adenosine Bound to the Atp- Binding Site within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl403 b:61.9 occ:1.00 HB2 A:ARG172 3.0 31.2 1.0 O A:HOH748 3.1 47.6 1.0 HD11 A:LEU168 3.1 23.1 1.0 O A:HOH732 3.2 45.3 1.0 HG A:LEU168 3.2 22.4 1.0 HD21 A:LEU168 3.4 23.4 1.0 CG A:LEU168 3.8 18.6 1.0 CB A:ARG172 3.8 26.0 1.0 CD1 A:LEU168 3.8 19.2 1.0 CG A:ARG172 3.9 32.4 1.0 CD2 A:LEU168 4.0 19.5 1.0 HD12 A:LEU168 4.2 23.1 1.0 HB3 A:ARG172 4.3 31.2 1.0 HD23 A:LEU168 4.4 23.4 1.0 O A:HOH742 4.5 40.8 1.0 HD13 A:LEU168 4.7 23.1 1.0 O A:LEU168 4.7 17.6 1.0 HD22 A:LEU168 4.8 23.4 1.0 HA A:ARG172 4.9 25.5 1.0 CA A:ARG172 5.0 21.3 1.0 O A:HOH721 5.0 40.6 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