Structure of PDB 6bfj Chain A Binding Site BS02

Receptor Information
>6bfj Chain A (length=146) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SGISLDNSYKMDYPEMGLCIIINNKNFHKSTGMTSRSGTDVDAANLRETF
RNLKYEVRNKNDLTREEIVELMRDVSKEDHSKRSSFVCVLLSHGEEGIIF
GTNGPVDLKKITNFFRGDRCRSLTGKPKLFIIQACRGTELDCGIET
Ligand information
Ligand IDAZI
InChIInChI=1S/N3/c1-3-2/q-1
InChIKeyIVRMZWNICZWHMI-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341
OpenEye OEToolkits 1.5.0		[N-]=[N+]=[N-]
FormulaN3
NameAZIDE ION
ChEMBLCHEMBL79455
DrugBank
ZINC
PDB chain6bfj Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6bfj Modifications to a common phosphorylation network provide individualized control in caspases.
Resolution1.543 Å
Binding residue
(original residue number in PDB)		G66 D68 V69 C163
Binding residue
(residue number reindexed from 1)		G38 D40 V41 C135
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) T62 S63 H121 G122 C163
Catalytic site (residue number reindexed from 1) T34 S35 H93 G94 C135
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

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Molecular Function
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Biological Process
External links
PDB RCSB:6bfj, PDBe:6bfj, PDBj:6bfj
PDBsum6bfj
PubMed29414778
UniProtP42574|CASP3_HUMAN Caspase-3 (Gene Name=CASP3)

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