Structure of PDB 6bgr Chain A Binding Site BS02

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 301 [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)		K38 G153 K154 A162 C163
Binding residue
(residue number reindexed from 1)		K10 G125 K126 A134 C135
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
View graph for
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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