Structure of PDB 2c1e Chain A Binding Site BS01

Receptor Information

>2c1e Chain A (length=146) Species: 9606 (Homo sapiens)

SGISLDNSYKMDYPEMGLCIIINNKNFHKSTGMTSRSGTDVDAANLRETF
RNLKYEVRNKNDLTREEIVELMRDVSKEDHSKRSSFVCVLLSHGEEGIIF
GTNGPVDLKKITNFFRGDRCRSLTGKPKLFIIQACRGTELDCGIET

Ligand information

>2c1e Chain C (length=5) Species: 32630 (synthetic construct)

tDEVa

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2c1e Design, Synthesis, and Evaluation of Aza-Peptide Michael Acceptors as Selective and Potent Inhibitors of Caspases-2, -3, -6, -7, -8, -9, and - 10.
• Resolution: 1.77 Å
• Binding residue (original residue number in PDB): M61 R64 S65 H121 G122 A162 C163
• Binding residue (residue number reindexed from 1): M33 R36 S37 H93 G94 A134 C135

Enzymatic activity

• Catalytic site (original residue number in PDB): T62 S63 H121 G122 C163 R164
• Catalytic site (residue number reindexed from 1): T34 S35 H93 G94 C135 R136
• Enzyme Commision number: 3.4.22.56: caspase-3.

Gene Ontology

Molecular Function

• GO:0004197 cysteine-type endopeptidase activity
• GO:0008234 cysteine-type peptidase activity

Biological Process

• GO:0006508 proteolysis

External links

• PDB: RCSB:2c1e, PDBe:2c1e, PDBj:2c1e
• PDBsum: 2c1e
• PubMed: 16970398
• UniProt: P42574|CASP3_HUMAN Caspase-3 (Gene Name=CASP3)