Chlorine in PDB 2x6j: The Crystal Structure of the Drosophila Class III PI3-Kinase VPS34 in Complex with Pik-93

All present enzymatic activity of The Crystal Structure of the Drosophila Class III PI3-Kinase VPS34 in Complex with Pik-93:
2.7.1.137; 2.7.1.153; 2.7.1.154;

The structure of The Crystal Structure of the Drosophila Class III PI3-Kinase VPS34 in Complex with Pik-93, PDB code: 2x6j was solved by S.Miller, B.Tavshanjian, A.Oleksy, O.Perisic, B.T.Houseman, K.M.Shokat, R.L.Williams, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	61.62 / 3.50
Space group	I 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	109.950, 156.330, 242.910, 90.00, 90.00, 90.00
R / Rfree (%)	23 / 27.2

The binding sites of Chlorine atom in the The Crystal Structure of the Drosophila Class III PI3-Kinase VPS34 in Complex with Pik-93 (pdb code 2x6j). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the The Crystal Structure of the Drosophila Class III PI3-Kinase VPS34 in Complex with Pik-93, PDB code: 2x6j:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the The Crystal Structure of the Drosophila Class III PI3-Kinase VPS34 in Complex with Pik-93


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of The Crystal Structure of the Drosophila Class III PI3-Kinase VPS34 in Complex with Pik-93 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1949 b:0.0 occ:1.00 CL A:0931949 0.0 0.0 1.0 CAB A:0931949 1.8 0.4 1.0 NZ A:LYS698 2.4 59.3 1.0 CAF A:0931949 2.7 0.1 1.0 CAC A:0931949 2.8 0.8 1.0 NAU A:0931949 2.9 0.8 1.0 SAN A:0931949 3.2 0.2 1.0 OAM A:0931949 3.4 0.4 1.0 CE A:LYS698 3.7 57.6 1.0 CAV A:0931949 3.9 1.0 1.0 CAG A:0931949 4.1 98.5 1.0 CAD A:0931949 4.1 97.8 1.0 CD1 A:LEU744 4.2 43.5 1.0 CD A:LYS698 4.3 56.0 1.0 CA A:ASP823 4.4 50.6 1.0 OD2 A:ASP706 4.5 61.8 1.0 CB A:ASP823 4.5 51.2 1.0 OAO A:0931949 4.6 0.0 1.0 CAH A:0931949 4.6 95.0 1.0 N A:ASP823 4.6 49.8 1.0 CAW A:0931949 4.8 0.8 1.0 CD2 A:LEU744 4.8 43.9 1.0 CG2 A:ILE822 4.9 47.7 1.0

Chlorine binding site 2 out of 2 in the The Crystal Structure of the Drosophila Class III PI3-Kinase VPS34 in Complex with Pik-93


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of The Crystal Structure of the Drosophila Class III PI3-Kinase VPS34 in Complex with Pik-93 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1950 b:0.1 occ:1.00 CL B:0931950 0.0 0.1 1.0 CAB B:0931950 1.8 0.2 1.0 CAF B:0931950 2.7 0.3 1.0 NAU B:0931950 2.8 0.6 1.0 CAC B:0931950 2.8 0.5 1.0 SAN B:0931950 3.1 0.5 1.0 NZ B:LYS698 3.2 71.0 1.0 OAM B:0931950 3.3 0.0 1.0 OD2 B:ASP823 3.8 56.9 1.0 CD1 B:LEU744 3.8 58.2 1.0 CD B:LYS698 4.0 73.4 1.0 CAV B:0931950 4.1 0.6 1.0 CAG B:0931950 4.1 0.8 1.0 CE B:LYS698 4.2 72.2 1.0 CAD B:0931950 4.2 0.8 1.0 OD2 B:ASP706 4.4 70.6 1.0 CG B:ASP823 4.5 56.2 1.0 OAO B:0931950 4.5 0.3 1.0 CAH B:0931950 4.7 0.8 1.0 CB B:ASP823 5.0 55.2 1.0

S.Miller, B.Tavshanjian, A.Oleksy, O.Perisic, B.T.Houseman, K.M.Shokat, R.L.Williams. Shaping Development of Autophagy Inhibitors with the Structure of the Lipid Kinase VPS34. Science V. 327 1638 2010.
ISSN: ISSN 0036-8075
PubMed: 20339072
DOI: 10.1126/SCIENCE.1184429