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Deposited model

PDB 2C2M|dpdb_6xyqan1r

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
Ganesan, R., Jelakovic, S., Ekici, O.D., Li, Z.Z., James, K.E., Asgian, J.L., Campbell, A., Mikolajczyk, J., Salvesen, G.S., Gruetter, M.G., Powers, J.C.
Atoms
2,409
Residues
255
Protein chains
3
Unmodeled fraction
0%

Evaluations

R-work
0.167
R-free
0.208
Clashscore
9.7

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)-14-[4-(BENZYLOXY)-4-OXOBUTANOYL]-8-(2-CARBOXYETHYL)-5-(CARBOXYMETHYL)-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