Deposited model

PDB 2Y80|dpdb_qhcc3vs4

Deposited model

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

Program
REFMAC 5.5.0109
Model type
Deposited
Purpose
Reference
Authors
Young, R.J., Adams, C., Blows, M., Brown, D., Burns-Kurtis, C.L., Chaudry, L., Chan, C., Convery, M.A., Davies, D.E., Exall, A.M., Foster, G., Harling, J.D., Hortense, E., Irving, W.R., Irvine, S., Jackson, S., Kleanthous, S., Pateman, A.J., Patikis, A.N., Roethka, T.J., Senger, S., Stelman, G.J., Toomey, J.R., West, R.I., Whittaker, C., Zhou, P., Watson, N.S.
Atoms
2,507
Residues
288
Protein chains
2
Unmodeled fraction
25.77%
Ligands
CA, MG

Evaluations

R-work
0.189
R-free
0.241
Clashscore
1.1

Macromolecules

The same in every model of this entry.

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

Data

L0 Raw
L1 Processed
L2 Models
L3 Evaluations