Structure of PDB 6qcb Chain A Binding Site BS01

Receptor Information
>6qcb Chain A (length=97) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GPIPEVLKNYMDAQYYGEIGIGTPPQCFTVVFDTGSSNLWVPSIHCKLLD
IACWIHHKYNSDKSSTYVKNGTSFDIHYGSGSLSGYLSQDTVSVPCQ
Ligand information
Ligand IDPO3
InChIInChI=1S/O3P/c1-4(2)3/q-3
InChIKeyAQSJGOWTSHOLKH-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[O-][P-]([O-])=O
ACDLabs 10.04[O-][PH2-]([O-])=O
OpenEye OEToolkits 1.5.0[O-][P-](=O)[O-]
FormulaO3 P
NamePHOSPHITE ION
ChEMBL
DrugBank
ZINC
PDB chain6qcb Chain A Residue 101 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6qcb Biomimetic Macrocyclic Inhibitors of Human Cathepsin D: Structure-Activity Relationship and Binding Mode Analysis.
Resolution1.55 Å
Binding residue
(original residue number in PDB)		K8 Y16
Binding residue
(residue number reindexed from 1)		K8 Y16
Annotation score1
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.
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:6qcb, PDBe:6qcb, PDBj:6qcb
PDBsum6qcb
PubMed32003991
UniProtP07339|CATD_HUMAN Cathepsin D (Gene Name=CTSD)

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