Atomistry » Chlorine » PDB 3jq0-3k1s » 3jya
Atomistry »
  Chlorine »
    PDB 3jq0-3k1s »
      3jya »

Chlorine in PDB 3jya: 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: 3jya 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) 48.39 / 2.10
Space group P 65
Cell size a, b, c (Å), α, β, γ (°) 96.764, 96.764, 80.794, 90.00, 90.00, 120.00
R / Rfree (%) 23.3 / 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 3jya). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where 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: 3jya:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 3jya

Go back to Chlorine Binding Sites List in 3jya
Chlorine binding site 1 out of 2 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:32.4
occ:1.00
CL1 A:LWG1000 0.0 32.4 1.0
C6 A:LWG1000 1.7 32.0 1.0
C5 A:LWG1000 2.7 31.4 1.0
C7 A:LWG1000 2.8 31.7 1.0
O A:GLU121 3.1 30.1 1.0
S1 A:LWG1000 3.2 31.7 1.0
CB A:ALA65 3.5 26.6 1.0
CA A:ARG122 3.6 29.9 1.0
CB A:ARG122 3.8 29.8 1.0
CD1 A:LEU174 3.9 23.9 1.0
CG A:ARG122 3.9 29.5 1.0
C10 A:LWG1000 4.0 31.3 1.0
C8 A:LWG1000 4.0 31.8 1.0
C A:GLU121 4.1 29.9 1.0
CD1 A:ILE104 4.1 25.6 1.0
CD A:PRO123 4.1 30.2 1.0
N A:ARG122 4.3 29.5 1.0
C9 A:LWG1000 4.5 31.1 1.0
CG2 A:ILE104 4.6 26.3 1.0
CG1 A:ILE104 4.6 27.8 1.0
CD A:ARG122 4.6 30.1 1.0
C4 A:LWG1000 4.7 32.0 1.0
CA A:ALA65 4.7 26.9 1.0
C A:ARG122 4.8 29.9 1.0
N A:PRO123 4.9 30.3 1.0
N A:ALA65 4.9 27.7 1.0
C3 A:LWG1000 4.9 31.4 1.0

Chlorine binding site 2 out of 2 in 3jya

Go back to Chlorine Binding Sites List in 3jya
Chlorine binding site 2 out of 2 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 2 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:34.9
occ:1.00
CL2 A:LWG1000 0.0 34.9 1.0
C9 A:LWG1000 1.7 31.1 1.0
C10 A:LWG1000 2.7 31.3 1.0
C8 A:LWG1000 2.8 31.8 1.0
N2 A:LWG1000 2.9 31.5 1.0
C3 A:LWG1000 3.2 31.4 1.0
C5 A:LWG1000 4.0 31.4 1.0
O A:LEU44 4.0 28.2 1.0
C7 A:LWG1000 4.0 31.7 1.0
CB A:LEU44 4.0 28.7 1.0
C A:LEU44 4.1 28.1 1.0
C2 A:LWG1000 4.2 31.3 1.0
N A:GLY45 4.3 27.7 1.0
CA A:GLY45 4.5 27.1 1.0
C4 A:LWG1000 4.5 32.0 1.0
C6 A:LWG1000 4.5 32.0 1.0
CA A:LEU44 4.7 28.4 1.0
CG1 A:VAL52 4.8 22.2 1.0
CB A:VAL52 4.9 23.1 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: Fri Jul 11 06:47:11 2025

Last articles

Cl in 3SLH
Cl in 3SLF
Cl in 3SKH
Cl in 3SIY
Cl in 3SJX
Cl in 3SK0
Cl in 3SHX
Cl in 3SJG
Cl in 3SJF
Cl in 3SJE
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy