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qFit model

PDB 2Y80|dpdb_qhcc3vs4

qFit model

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

Program
Phenix 2.0_5824
Model type
Multiconformer
Purpose
Model Building
Atoms
2,878
Residues
278
Protein chains
2
Alternate-location fraction
16.91%
Ligands
439, CA, MG

Evaluations

R-work
0.186
R-free
0.228
Clashscore
—

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