Structure of PDB 3ovx Chain A

Receptor sequence
>3ovxA (length=217) Species: 9606 (Homo sapiens) [Search protein sequence]
LPDSVDWREKGCVTEVKYQGSCGACWAFSAVGALEAQLKLKTGKLVSLSA
QNLVDCSTEKYGNKGCNGGFMTTAFQYIIDNKGIDSDASYPYKAMDQKCQ
YDSKYRAATCSKYTELPYGREDVLKEAVANKGPVSVGVDARHPSFFLYRS
GVYYEPSCTQNVNHGVLVVGYGDLNGKEYWLVKNSWGHNFGEEGYIRMAR
NKGNHCGIASFPSYPEI
3D structure
PDB3ovx Trifluoromethylphenyl as P2 for ketoamide-based cathepsin S inhibitors.
ChainA
Resolution1.49 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) Q19 C25 H164 N184
Catalytic site (residue number reindexed from 1) Q19 C25 H164 N184
Enzyme Commision number 3.4.22.27: cathepsin S.
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 O64 A G23 C25 W26 G68 G69 V162 N163 G165 G23 C25 W26 G68 G69 V162 N163 G165 PDBbind-CN: -logKd/Ki=7.51,IC50=31nM
BindingDB: IC50=31nM
Gene Ontology
Molecular Function
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:3ovx, PDBe:3ovx, PDBj:3ovx
PDBsum3ovx
PubMed21030256
UniProtP25774|CATS_HUMAN Cathepsin S (Gene Name=CTSS)

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