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Ensemble refinement model

PDB 4YZU|dpdb_6nui618e

Ensemble refinement model

Rapid development of two Factor IXa inhibitors from Hit to Lead

Program
PHENIX phenix.ensemble_refinement
Model type
Ensemble
Purpose
Refinement
Atoms
168,549
Residues
292
Protein chains
2
Alternate-location fraction
0%
Ligands
4K6, CL, NA, NHE

Evaluations

R-work
0.143
R-free
0.157
Clashscore
—

Macromolecules

The same in every model of this entry.

Entity 1
MoleculeChainsLengthOrganismUniProtDetails
Coagulation factor IX235
  • ConstructPeptidase S1 domain (UNP residue 227-461)
  • MutationR150A
Entity 2
MoleculeChainsLengthOrganismUniProtDetails
Coagulation factor IX62
  • ConstructEGF-like 2 domain (UNP residues 131-191)

Data

L0 Raw
L1 Processed
L2 Models
L3 Evaluations