Structure of PDB 6bgr Chain A Binding Site BS03

Receptor Information
>6bgr 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
GTNGPVDLKKITNFFRGDRCRELTGKPKLFIIQACRGTELDCGIET
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 chain6bgr Chain A Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6bgr Modifications to a common phosphorylation network provide individualized control in caspases.
Resolution2.16 Å
Binding residue
(original residue number in PDB)		E124 G165
Binding residue
(residue number reindexed from 1)		E96 G137
Annotation score1
Enzymatic activity
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:6bgr, PDBe:6bgr, PDBj:6bgr
PDBsum6bgr
PubMed29414778
UniProtP42574|CASP3_HUMAN Caspase-3 (Gene Name=CASP3)

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