Structure of PDB 4od9 Chain B

Receptor sequence
>4od9B (length=240) Species: 9606 (Homo sapiens) [Search protein sequence]
GVKVERQVFGEATKQPGITFIAAKFDGILGMAYPRISVNNVLPVFDNLMQ
QKLVDQNIFSFYLSRDPDAQPGGELMLGGTDSKYYKGSLSYLNVTRKAYW
QVHLDQVEVASGLTLCKEGCEAIVDTGTSLMVGPVDEVRELQKAIGAVPL
IQGEYMIPCEKVSTLPAITLKLGGKGYKLSPEDYTLKVSQAGKTLCLSGF
MGMDIPPPSGPLWILGDVFIGRYYTVFDRDNNRVGFAEAA
3D structure
PDB4od9 Structure-based optimization of non-peptidic Cathepsin D inhibitors.
ChainB
Resolution1.9 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) D231 T234
Catalytic site (residue number reindexed from 1) D125 T128
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 2RZ B F126 F131 I134 Y205 I229 D231 G233 T234 M309 I311 F20 F25 I28 Y99 I123 D125 G127 T128 M203 I205 PDBbind-CN: -logKd/Ki=7.24,IC50=58nM
BindingDB: IC50=58nM
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:4od9, PDBe:4od9, PDBj:4od9
PDBsum4od9
PubMed25086681
UniProtP07339|CATD_HUMAN Cathepsin D (Gene Name=CTSD)

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