2xyg Summary



The structure was published by Ganesan, R., Jelakovic, S., Mittl, P.R., Caflisch, A., and Grutter, M.G., in 2011 in a paper entitled "In Silico Identification and Crystal Structure Validation of Caspase-3 Inhibitors without a P1 Aspartic Acid Moiety." (abstract).

This crystal structure was determined using X-ray diffraction at a resolution of 1.54 Å and deposited in 2010.

The experimental data on which the structure is based was also deposited.

This PDB entry contains a complex of 2 biomacromolecules, namely CASPASE-3 SUBUNIT P17 and CASPASE-3 SUBUNIT P12.

It also contains one or more heterogenic compounds (e.g., ligands, co-factors, ions, modified amino acids, etc.); see here for a complete list.

The molecule most likely forms heterotetramers.

The following tables show cross-reference information to other databases (to obtain a list of all PDB entries sharing the same property or classification, click on the magnifying glass icon):

Chain Name UniProt Name of source organism % of UniProt sequence present in the sample Residues in the sample molecules % of residues observed
A CASPASE-3 SUBUNIT P17 P42574 (29-174) (CASP3_HUMAN)search Homo sapienssearch 90% 146 100%
B CASPASE-3 SUBUNIT P12 P42574 (185-277) (CASP3_HUMAN)search Homo sapienssearch 90% 93 100%

This entry contains 1 unique UniProt protein:

UniProt accession Name Organism PDB
P42574 (29 - 174) CASPASE-3 SUBUNIT P17 Homo sapiens

Chain Structural classification (CATH) Sequence family (Pfam)
A (P42574) Rossmann foldsearch PF00656: Caspase domainsearch
B (P42574) PF00656: Caspase domainsearch

Chain ID Biological process (GO) Molecular function (GO) Cellular component (GO)
A (P42574) apoptotic processsearch proteolysissearch cysteine-type endopeptidase activitysearch cysteine-type peptidase activitysearch cytoplasmsearch
B (P42574) apoptotic processsearch proteolysissearch cysteine-type peptidase activitysearch cysteine-type endopeptidase activitysearch cytoplasmsearch

Chain InterPro annotation
A Peptidase C14, ICE, catalytic subunit p20search Peptidase C14, caspase domainsearch Caspase-3search Peptidase C14A, caspase precursor p45, coresearch Peptidase C14, ICE, catalytic subunit p20, active sitesearch Caspase-like domainsearch
B Peptidase C14, caspase non-catalytic subunit p10search Peptidase C14, caspase domainsearch Caspase-3search Peptidase C14A, caspase precursor p45, coresearch