Ensemble refinement model

PDB 5MCQ|dpdb_5aq3l6eg

Ensemble refinement model

CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH ACTIVE SITE AND EXOSITE BINDING PEPTIDE INHIBITOR

Program
PHENIX phenix.ensemble_refinement
Model type
Ensemble
Purpose
Refinement
Atoms
236,908
Residues
410
Protein chains
2
Alternate-location fraction
0%
Ligands
DLY, DPR, EDO, NH2, STA

Evaluations

R-work
0.175
R-free
0.215
Clashscore
—

Macromolecules

The same in every model of this entry.

Entity 1
MoleculeChainsLengthOrganismUniProtDetails
Beta-secretase 1409—
Entity 2
MoleculeChainsLengthOrganismUniProtDetails
BACE-1 ACTIVE AND EXOSITE BINDING INHIBITOR22——

Data

L0 Raw
L1 Processed
L2 Models
L3 Evaluations