Structure of PDB 6qcb Chain A

Receptor sequence
>6qcbA (length=97) Species: 9606 (Homo sapiens) [Search protein sequence]
GPIPEVLKNYMDAQYYGEIGIGTPPQCFTVVFDTGSSNLWVPSIHCKLLD
IACWIHHKYNSDKSSTYVKNGTSFDIHYGSGSLSGYLSQDTVSVPCQ
3D structure
PDB6qcb Biomimetic Macrocyclic Inhibitors of Human Cathepsin D: Structure-Activity Relationship and Binding Mode Analysis.
ChainA
Resolution1.55 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 PO3 A K8 Y16 K8 Y16
BS02 HWE A D33 G35 H77 Y78 G79 S80 D33 G35 H77 Y78 G79 S80 MOAD: ic50=5.8nM
BindingDB: IC50=5.8nM
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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