Deposited model

PDB 2VIO|dpdb_4edgpbva

Deposited model

Fragment-Based Discovery of Mexiletine Derivatives as Orally Bioavailable Inhibitors of Urokinase-Type Plasminogen Activator

Program
BUSTER-TNT 2.1.1
Model type
Deposited
Purpose
Reference
Authors
Frederickson, M., Callaghan, O., Chessari, G., Congreve, M., Cowan, S.R., Matthews, J.E., McMenamin, R., Smith, D., Vinkovic, M., Wallis, N.G.
Atoms
2,247
Residues
248
Protein chains
1
Unmodeled fraction
1.98%

Evaluations

R-work
0.189
R-free
0.250
Clashscore
5.4

Macromolecules

The same in every model of this entry.

Entity 1
MoleculeChainsLengthOrganismUniProtDetails
UROKINASE-TYPE PLASMINOGEN ACTIVATOR CHAIN B253
  • ConstructCATALYTIC DOMAIN, RESIDUES 179-431
  • MutationsYES

Data

L0 Raw
L1 Processed
L2 Models
L3 Evaluations