Ensemble refinement model

PDB 6C2I|dpdb_ziuqx9qs

Ensemble refinement model

Structure of Bace-1 (Beta-Secretase) in complex with : N-(3-((1R,5S,6R)-3-amino-5-methyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-5-yl)-4-fluorophenyl)-5-methoxypyrazine-2-carboxamide

Program
PHENIX phenix.ensemble_refinement
Model type
Ensemble
Purpose
Refinement
Atoms
218,875
Residues
379
Protein chains
1
Alternate-location fraction
0%
Ligands
EJ7, GOL, IOD, SO4

Evaluations

R-work
0.164
R-free
0.201
Clashscore
—

Macromolecules

The same in every model of this entry.

Entity 1
MoleculeChainsLengthOrganismUniProtDetails
Beta-secretase 1411
  • MutationsR56K R57K

Data

L0 Raw
L1 Processed
L2 Models
L3 Evaluations