Atomistry » Chlorine » PDB 2vfx-2vo3 » 2viw
Atomistry »
  Chlorine »
    PDB 2vfx-2vo3 »
      2viw »

Chlorine in PDB 2viw: Fragment-Based Discovery of Mexiletine Derivatives As Orally Bioavailable Inhibitors of Urokinase-Type Plasminogen Activator

Enzymatic activity of Fragment-Based Discovery of Mexiletine Derivatives As Orally Bioavailable Inhibitors of Urokinase-Type Plasminogen Activator

All present enzymatic activity of Fragment-Based Discovery of Mexiletine Derivatives As Orally Bioavailable Inhibitors of Urokinase-Type Plasminogen Activator:
3.4.21.73;

Protein crystallography data

The structure of Fragment-Based Discovery of Mexiletine Derivatives As Orally Bioavailable Inhibitors of Urokinase-Type Plasminogen Activator, PDB code: 2viw was solved by M.Frederickson, O.Callaghan, G.Chessari, M.Congreve, S.R.Cowan, J.E.Matthews, R.Mcmenamin, D.Smith, M.Vinkovic, N.G.Wallis, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 27.49 / 2.05
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 52.336, 54.118, 80.526, 90.00, 90.00, 90.00
R / Rfree (%) 17.8 / 26

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Fragment-Based Discovery of Mexiletine Derivatives As Orally Bioavailable Inhibitors of Urokinase-Type Plasminogen Activator (pdb code 2viw). 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 Fragment-Based Discovery of Mexiletine Derivatives As Orally Bioavailable Inhibitors of Urokinase-Type Plasminogen Activator, PDB code: 2viw:

Chlorine binding site 1 out of 1 in 2viw

Go back to Chlorine Binding Sites List in 2viw
Chlorine binding site 1 out of 1 in the Fragment-Based Discovery of Mexiletine Derivatives As Orally Bioavailable Inhibitors of Urokinase-Type Plasminogen Activator


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Fragment-Based Discovery of Mexiletine Derivatives As Orally Bioavailable Inhibitors of Urokinase-Type Plasminogen Activator within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1246

b:40.0
occ:0.70
 CL A:D561246 0.0 40.0 0.7
C9 A:D561246 1.7 44.1 0.7
C8 A:D561246 2.7 48.9 0.7
C11 A:D561246 2.7 44.1 0.7
O A:HOH2202 2.9 50.8 1.0
O12 A:D561246 3.0 40.8 0.7
CE1 A:HIS99 3.5 37.3 1.0
C13 A:D561246 3.8 30.5 0.7
C7 A:D561246 4.0 55.3 0.7
C12 A:D561246 4.0 44.0 0.7
OH A:TYR94 4.1 28.3 1.0
CB A:HIS57 4.1 18.7 1.0
O A:HIS57 4.3 27.3 1.0
NE2 A:HIS99 4.3 38.0 1.0
CD2 A:HIS57 4.3 18.1 1.0
ND1 A:HIS99 4.4 37.1 1.0
C10 A:D561246 4.4 26.9 0.7
CG A:HIS57 4.4 19.9 1.0
C31 A:D561246 4.5 53.5 0.7
CA A:HIS57 4.9 20.0 1.0

Reference:

M.Frederickson, O.Callaghan, G.Chessari, M.Congreve, S.R.Cowan, J.E.Matthews, R.Mcmenamin, D.Smith, M.Vinkovic, N.G.Wallis. Fragment-Based Discovery of Mexiletine Derivatives As Orally Bioavailable Inhibitors of Urokinase-Type Plasminogen Activator. J.Med.Chem. V. 51 183 2008.
ISSN: ISSN 0022-2623
PubMed: 18163548
DOI: 10.1021/JM701359Z
Page generated: Sat Jul 20 11:53:54 2024

Last articles

Zn in 9JPJ
Zn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy