Dynamic PDB
Log in

qFit model

PDB 2CNN|dpdb_p2v3q98r

qFit model

Crystal structures of caspase-3 in complex with aza-peptide epoxide inhibitors.

Program
Phenix 2.0_5824
Model type
Multiconformer
Purpose
Model Building
Atoms
3,100
Residues
252
Protein chains
3
Alternate-location fraction
30.95%
Ligands
ABN, MY0, PHQ

Evaluations

R-work
0.135
R-free
0.166
Clashscore
—

Macromolecules

The same in every model of this entry.

Entity 1
MoleculeChainsLengthOrganismUniProtDetails
Caspase-3147
  • ConstructALPHA SUBUNIT, RESIDUES 29-175
Entity 2
MoleculeChainsLengthOrganismUniProtDetails
Caspase-3103
  • ConstructBETA SUBUNIT
Entity 3
MoleculeChainsLengthOrganismUniProtDetails
AZA-PEPTIDE EXPOXIDE7—
  • ConstructCBZ-ILE-GLU-THR-AASP-EP-CO-ALA-NH-CH2-PH

Data

L0 Raw
L1 Processed
L2 Models
L3 Evaluations