Structure of PDB 6bgq Chain B Binding Site BS03

Receptor Information
>6bgq Chain B (length=94) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HKIPVEADFLYAYSTAPGYYSWRNSKDGSWFIQSLCAMLKQYADKLEFMH
ILTRVNRKVATEFESFSFDATFHAKKQIPCIVSMLTKELYFYHH
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 chain6bgq Chain B Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB6bgq Modifications to a common phosphorylation network provide individualized control in caspases.
Resolution1.97 Å
Binding residue
(original residue number in PDB)		M222 Y226 R238
Binding residue
(residue number reindexed from 1)		M38 Y42 R54
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

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:6bgq, PDBe:6bgq, PDBj:6bgq
PDBsum6bgq
PubMed29414778
UniProtP42574|CASP3_HUMAN Caspase-3 (Gene Name=CASP3)

[Back to BioLiP]