Atomistry » Chlorine » PDB 3jpy-3k1n » 3jy0
Atomistry »
  Chlorine »
    PDB 3jpy-3k1n »
      3jy0 »

Chlorine in PDB 3jy0: Discovery of 3H-Benzo[4,5]Thieno[3,2-D]Pyrimidin-4-Ones As Potent, Highly Selective and Orally Bioavailable Pim Kinases Inhibitors

Enzymatic activity of Discovery of 3H-Benzo[4,5]Thieno[3,2-D]Pyrimidin-4-Ones As Potent, Highly Selective and Orally Bioavailable Pim Kinases Inhibitors

All present enzymatic activity of Discovery of 3H-Benzo[4,5]Thieno[3,2-D]Pyrimidin-4-Ones As Potent, Highly Selective and Orally Bioavailable Pim Kinases Inhibitors:
2.7.11.1;

Protein crystallography data

The structure of Discovery of 3H-Benzo[4,5]Thieno[3,2-D]Pyrimidin-4-Ones As Potent, Highly Selective and Orally Bioavailable Pim Kinases Inhibitors, PDB code: 3jy0 was solved by V.S.Stoll, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 50.00 / 2.40
Space group P 65
Cell size a, b, c (Å), α, β, γ (°) 98.286, 98.286, 80.580, 90.00, 90.00, 120.00
R / Rfree (%) 22.4 / 25.7

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Discovery of 3H-Benzo[4,5]Thieno[3,2-D]Pyrimidin-4-Ones As Potent, Highly Selective and Orally Bioavailable Pim Kinases Inhibitors (pdb code 3jy0). 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 Discovery of 3H-Benzo[4,5]Thieno[3,2-D]Pyrimidin-4-Ones As Potent, Highly Selective and Orally Bioavailable Pim Kinases Inhibitors, PDB code: 3jy0:

Chlorine binding site 1 out of 1 in 3jy0

Go back to Chlorine Binding Sites List in 3jy0
Chlorine binding site 1 out of 1 in the Discovery of 3H-Benzo[4,5]Thieno[3,2-D]Pyrimidin-4-Ones As Potent, Highly Selective and Orally Bioavailable Pim Kinases Inhibitors


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Discovery of 3H-Benzo[4,5]Thieno[3,2-D]Pyrimidin-4-Ones As Potent, Highly Selective and Orally Bioavailable Pim Kinases Inhibitors within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1000

b:36.4
occ:1.00
CL1 A:LYG1000 0.0 36.4 1.0
C9 A:LYG1000 1.7 29.5 1.0
C10 A:LYG1000 2.6 24.4 1.0
C8 A:LYG1000 2.7 24.3 1.0
CD2 A:LEU44 3.7 32.4 1.0
C7 A:LYG1000 3.9 21.9 1.0
C11 A:LYG1000 3.9 21.8 1.0
CD A:ARG122 4.0 31.9 1.0
CG A:ARG122 4.0 30.3 1.0
CD1 A:LEU174 4.3 23.9 1.0
CG1 A:VAL126 4.3 22.0 1.0
C12 A:LYG1000 4.3 20.0 1.0
CG A:LEU44 4.3 36.7 1.0
CB A:ARG122 4.8 30.2 1.0
CB A:ALA65 4.8 26.4 1.0
CG2 A:VAL126 4.9 24.1 1.0

Reference:

Z.F.Tao, L.Hasvold, J.Leverson, E.Han, R.Guan, E.F.Johson, V.S.Stoll, K.D.Stewart, G.Stamper, N.Soni. Discovery of 3H-Benzo[4,5]Thieno[3,2-D]Pyrimidin-4-Ones As Potent, Highly Selective and Orally Bioavailable Pim Kinases Inhibitors To Be Published.
Page generated: Sat Dec 12 09:49:48 2020

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy