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qFit model

PDB 2C2M|dpdb_6xyqan1r

qFit model

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

Program
Phenix 2.0_5824
Model type
Multiconformer
Purpose
Model Building
Atoms
2,989
Residues
250
Protein chains
3
Alternate-location fraction
23.6%
Ligands
MX4, PHQ

Evaluations

R-work
0.141
R-free
0.195
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 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