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Deposited model

PDB 2C1E|dpdb_uyu3gfl2

Deposited model

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

Program
CNS 1.1
Model type
Deposited
Purpose
Reference
Authors
Grutter, M.G.
Atoms
2,459
Residues
255
Protein chains
3
Unmodeled fraction
0%

Evaluations

R-work
0.163
R-free
0.188
Clashscore
4.2

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 INHIBITOR (5S, 8R, 11S)-8-(2-CARBOXYETHYL)-5-(CARBOXYMETHYL)-14-(4-ETHOXY-4-OXOBUTANOYL)-11-(1-METHYLETHYL)-3,6,9,12-TETRAOXO-1-PHENYL-2-OXA-4,7,10,13,14-PENTAAZAHEXADECAN -16-OIC ACID5——

Data

L0 Raw
L1 Processed
L2 Models
L3 Evaluations