Structure of PDB 4oc6 Chain A

Receptor sequence
>4oc6A (length=98) Species: 9606 (Homo sapiens) [Search protein sequence]
GPIPEVLKNYMDAQYYGEIGIGTPPQCFTVVFDTGSSNLWVPSIHCKLLD
IACWIHHKYNSDKSSTYVKNGTSFDIHYGSGSLSGYLSQDTVSVPCQS
3D structure
PDB4oc6 Structure-based optimization of non-peptidic Cathepsin D inhibitors.
ChainA
Resolution2.64 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) D33 S36 N38 W40 Y78
Catalytic site (residue number reindexed from 1) D33 S36 N38 W40 Y78
Enzyme Commision number 3.4.23.5: cathepsin D.
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 2S1 A D33 G35 Y78 G79 S80 D33 G35 Y78 G79 S80 PDBbind-CN: -logKd/Ki=7.07,IC50=85nM
BindingDB: IC50=85nM,Ki=0.700000nM
Gene Ontology
Molecular Function
GO:0004190 aspartic-type endopeptidase activity
Biological Process
GO:0006508 proteolysis

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Molecular Function
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Biological Process
External links
PDB RCSB:4oc6, PDBe:4oc6, PDBj:4oc6
PDBsum4oc6
PubMed25086681
UniProtP07339|CATD_HUMAN Cathepsin D (Gene Name=CTSD)

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