Structure of PDB 3vsx Chain A

Receptor sequence
>3vsxA (length=340) Species: 9606 (Homo sapiens) [Search protein sequence]
LTLGNTTSSVILTNYMDTQYYGEIGIGTPPQTFKVVFDTGSSNVWVPSSK
CSRLYTACVYHKLFDASDSSSYKHNGTELTLRYSTGTVSGFLSQDIITVG
GITVTQMFGEVTEMPALPFMLAEFDGVVGMGFIEQAIGRVTPIFDNIISQ
GVLKEDVFSFYYNRDSENSQSLGGQIVLGGSDPQHYEGNFHYINLIKTGV
WQIQMKGVSVGSSTLLCEDGCLALVDTGASYISGSTSSIEKLMEALGAKK
RLFDYVVKCNEGPTLPDISFHLGGKEYTLTSADYVFQESYSSKKLCTLAI
HAMDIPPPTGPTWALGATFIRKFYTEFDRRNNRIGFALAR
3D structure
PDB3vsx Design and optimization of novel (2S,4S,5S)-5-amino-6-(2,2-dimethyl-5-oxo-4-phenylpiperazin-1-yl)-4-hydroxy-2-isopropylhexanamides as renin inhibitors
ChainA
Resolution2.8 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) D38 S41 N43 W45 Y83 D226 A229
Catalytic site (residue number reindexed from 1) D38 S41 N43 W45 Y83 D226 A229
Enzyme Commision number 3.4.23.15: renin.
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 R32 A D38 G40 S41 R82 Y83 T85 F119 V127 D226 G228 D38 G40 S41 R82 Y83 T85 F119 V127 D226 G228 PDBbind-CN: -logKd/Ki=8.85,IC50=1.4nM
BindingDB: IC50=1.4nM
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:3vsx, PDBe:3vsx, PDBj:3vsx
PDBsum3vsx
PubMed22726934
UniProtP00797|RENI_HUMAN Renin (Gene Name=REN)

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