Ensemble refinement model

PDB 4I11|dpdb_brjfvazk

Ensemble refinement model

Structure-based design of novel dihydroisoquinoline BACE-1 inhibitors that do not engage the catalytic aspartates.

Program
PHENIX 2.0_5824
Model type
Ensemble
Purpose
Refinement
Atoms
225,203
Residues
397
Protein chains
1
Alternate-location fraction
0%
Ligands
1CH, ZN

Evaluations

R-work
0.190
R-free
0.239
Clashscore
—

Macromolecules

The same in every model of this entry.

Entity 1
MoleculeChainsLengthOrganismUniProtDetails
Beta-secretase 1406
  • ConstructBeta-secretase 1: unp residues 57-453

Data

L0 Raw
L1 Processed
L2 Models
L3 Evaluations