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Chlorine in PDB 2wxf: The Crystal Structure of the Murine Class Ia Pi 3-Kinase P110DELTA in Complex with Pik-39.

Enzymatic activity of The Crystal Structure of the Murine Class Ia Pi 3-Kinase P110DELTA in Complex with Pik-39.

All present enzymatic activity of The Crystal Structure of the Murine Class Ia Pi 3-Kinase P110DELTA in Complex with Pik-39.:
2.7.1.153;

Protein crystallography data

The structure of The Crystal Structure of the Murine Class Ia Pi 3-Kinase P110DELTA in Complex with Pik-39., PDB code: 2wxf was solved by A.Berndt, S.Miller, O.Williams, D.D.Lee, B.T.Houseman, J.I.Pacold, F.Gorrec, W.-C.Hon, Y.Liu, C.Rommel, P.Gaillard, T.Ruckle, M.K.Schwarz, K.M.Shokat, J.P.Shaw, R.L.Williams, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 38.95 / 1.90
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 142.420, 65.010, 116.690, 90.00, 103.53, 90.00
R / Rfree (%) 21 / 24

Chlorine Binding Sites:

The binding sites of Chlorine atom in the The Crystal Structure of the Murine Class Ia Pi 3-Kinase P110DELTA in Complex with Pik-39. (pdb code 2wxf). 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 The Crystal Structure of the Murine Class Ia Pi 3-Kinase P110DELTA in Complex with Pik-39., PDB code: 2wxf:

Chlorine binding site 1 out of 1 in 2wxf

Go back to Chlorine Binding Sites List in 2wxf
Chlorine binding site 1 out of 1 in the The Crystal Structure of the Murine Class Ia Pi 3-Kinase P110DELTA in Complex with Pik-39.


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 Murine Class Ia Pi 3-Kinase P110DELTA in Complex with Pik-39. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1500

b:32.0
occ:1.00
 CL A:0391500 0.0 32.0 1.0
CAD A:0391500 1.7 26.8 1.0
CAC A:0391500 2.6 24.5 1.0
CAE A:0391500 2.8 27.0 1.0
OAB A:0391500 2.8 32.2 1.0
CAF A:0391500 3.2 29.8 1.0
C A:PHE751 3.6 14.5 1.0
O A:PHE751 3.6 14.1 1.0
N A:MET752 3.7 15.4 1.0
CG2 A:THR750 3.7 13.6 1.0
CAK A:0391500 3.9 21.4 1.0
CA A:MET752 4.0 16.9 1.0
CAM A:0391500 4.1 25.1 1.0
CB A:TRP760 4.2 10.3 1.0
CB A:MET752 4.2 17.4 1.0
CA A:PHE751 4.2 13.5 1.0
N A:PHE751 4.4 12.6 1.0
CE3 A:TRP760 4.4 12.2 1.0
CAL A:0391500 4.5 22.1 1.0
NAG A:0391500 4.5 31.8 1.0
CG A:TRP760 4.6 11.9 1.0
CD2 A:TRP760 4.7 13.9 1.0
NZ A:LYS708 4.9 31.0 1.0
C A:THR750 4.9 13.4 1.0
CB A:THR750 4.9 13.7 1.0
OG1 A:THR750 4.9 14.4 1.0

Reference:

A.Berndt, S.Miller, O.Williams, D.D.Lee, B.T.Houseman, J.I.Pacold, F.Gorrec, W.-C.Hon, Y.Liu, C.Rommel, P.Gaillard, T.Ruckle, M.K.Schwarz, K.M.Shokat, J.P.Shaw, R.L.Williams. The P110D Structure: Mechanisms For Selectivity and Potency of New Pi(3)K Inhibitors Nat.Chem.Biol. V. 6 117 2010.
ISSN: ISSN 1552-4450
PubMed: 20081827
DOI: 10.1038/NCHEMBIO.293
Page generated: Fri Jul 11 01:42:45 2025

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