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qFit model

PDB 2CNL|dpdb_k6rhr0j7

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
3,078
Residues
252
Protein chains
3
Alternate-location fraction
28.17%
Ligands
MY3, PHQ

Evaluations

R-work
0.141
R-free
0.171
Clashscore
—

Macromolecules

The same in every model of this entry.

Entity 1
MoleculeChainsLengthOrganismUniProtDetails
CASPASE-3 SUBUNIT P17147
  • ConstructALPHA SUBUNIT, RESIDUES 29-175
Entity 2
MoleculeChainsLengthOrganismUniProtDetails
CASPASE-3 SUBUNIT P12103
  • ConstructBETA SUBUNIT, RESIDUES 176-277
Entity 3
MoleculeChainsLengthOrganismUniProtDetails
AZA-PEPTIDE EPOXIDE5—
  • ConstructCBZ-ASP-GLU-VAL-AASP-EP-CO-NH-CH2PH

Data

L0 Raw
L1 Processed
L2 Models
L3 Evaluations