Structure of PDB 2c2o Chain A Binding Site BS01

Receptor Information

>2c2o Chain A (length=146) Species: 9606 (Homo sapiens)

SGISLDNSYKMDYPEMGLCIIINNKNFHKSTGMTSRSGTDVDAANLRETF
RNLKYEVRNKNDLTREEIVELMRDVSKEDHSKRSSFVCVLLSHGEEGIIF
GTNGPVDLKKITNFFRGDRCRSLTGKPKLFIIQACRGTELDCGIET

Ligand information

>2c2o Chain C (length=5) Species: 32630 (synthetic construct)

tDEVt

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2c2o 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: 2.45 Å
• Binding residue (original residue number in PDB): R64 H121 G122 E123 Q161 A162 C163 T166
• Binding residue (residue number reindexed from 1): R36 H93 G94 E95 Q133 A134 C135 T138

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:2c2o, PDBe:2c2o, PDBj:2c2o
• PDBsum: 2c2o
• PubMed: 16970398
• UniProt: P42574|CASP3_HUMAN Caspase-3 (Gene Name=CASP3)