Deposited model

PDB 2WYG|dpdb_871iys8n

Deposited model

Structure and property based design of factor Xa inhibitors: pyrrolidin-2-ones with monoaryl P4 motifs

Program
REFMAC 5.4.0073
Model type
Deposited
Purpose
Reference
Authors
Kleanthous, S., Borthwick, A.D., Brown, D., Burns-Kurtis, C.L., Campbell, M., Chaudry, L., Chan, C., Clarte, M., Convery, M.A., Harling, J.D., Hortense, E., Irving, W.R., Irvine, S., Pateman, A.J., Patikis, A., Pinto, I.L., Pollard, D.R., Roethka, T.J., Senger, S., Shah, G.P., Stelman, G.J., Toomey, J.R., Watson, N.S., Whittaker, C., Zhou, P., Young, R.J.
Atoms
2,439
Residues
280
Protein chains
2
Unmodeled fraction
27.84%

Evaluations

R-work
0.196
R-free
0.234
Clashscore
5.0

Macromolecules

The same in every model of this entry.

Entity 1
MoleculeChainsLengthOrganismUniProtDetails
ACTIVATED FACTOR XA HEAVY CHAIN254
  • ConstructACTIVATED DESGLA, RESIDUES 235-488
Entity 2
MoleculeChainsLengthOrganismUniProtDetails
FACTOR X LIGHT CHAIN134
  • ConstructACTIVATED DESGLA, RESIDUES 46-179

Data

L0 Raw
L1 Processed
L2 Models
L3 Evaluations