Structure of PDB 6f6r Chain B

Receptor sequence
>6f6rB (length=88) Species: 9606 (Homo sapiens) [Search protein sequence]
AIKKAHIEKDFIAFCSSTPDNVSWRHPTMGSVFIGRLIEHMQEYACSCDV
EEIFRKVRFSFEQPDGRAQMPTTERVTLTRCFYLFPGH
3D structure
PDB6f6r Rational Drug Design of Topically Administered Caspase 1 Inhibitors for the Treatment of Inflammatory Acne.
ChainB
Resolution1.8 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) E390
Catalytic site (residue number reindexed from 1) E74
Enzyme Commision number 3.4.22.36: caspase-1.
Interaction with ligand
Site
#		 Ligand Ligand
chain		 Binding residues on receptor
(original residue number in PDB)		 Binding residues on receptor
(residue number reindexed from 1)		 Binding affinity
BS01 CVE B S339 W340 R341 H342 M345 V348 R383 S23 W24 R25 H26 M29 V32 R67 PDBbind-CN: -logKd/Ki=8.25,IC50=5.6nM
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:6f6r, PDBe:6f6r, PDBj:6f6r
PDBsum6f6r
PubMed29648825
UniProtP29466|CASP1_HUMAN Caspase-1 (Gene Name=CASP1)

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