Structure of PDB 4pyv Chain B

Receptor sequence
>4pyvB (length=334) Species: 9606 (Homo sapiens) [Search protein sequence]
GNTTSSVILTNYMDTQYYGEIGIGTPPQTFKVVFDTGSSNVWVPSSKCSR
LYTACVYHKLFDASDSSSYKHNGTELTLRYSTGTVSGFLSQDIITVGGIT
VTQMFGEVTEMPALPFMLAEFDGVVGMGFIEQAIGRVTPIFDNIISQGVL
KEDVFSFYYNRDSQSLGGQIVLGGSDPQHYEGNFHYINLIKTGVWQIQMK
GVSVGSSTLLCEDGCLALVDTGASYISGSTSSIEKLMEALGAKKRLFDYV
VKCNEGPTLPDISFHLGGKEYTLTSADYVFQESYSSKKLCTLAIHAMDIP
PPTGPTWALGATFIRKFYTEFDRRNNRIGFALAR
3D structure
PDB4pyv Structure-based design of substituted piperidines as a new class of highly efficacious oral direct Renin inhibitors.
ChainB
Resolution2.65 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) D32 S35 N37 W39 Y75 D215 A218
Catalytic site (residue number reindexed from 1) D35 S38 N40 W42 Y80 D220 A223
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 2XF B Q13 V30 D32 G34 S35 R74 Y75 F117 D215 G217 Q16 V33 D35 G37 S38 R79 Y80 F121 D220 G222 BindingDB: IC50=200nM
Gene Ontology
Molecular Function
GO:0004190 aspartic-type endopeptidase activity
Biological Process
GO:0006508 proteolysis

View graph for
Molecular Function

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Biological Process
External links
PDB RCSB:4pyv, PDBe:4pyv, PDBj:4pyv
PDBsum4pyv
PubMed25050166
UniProtP00797|RENI_HUMAN Renin (Gene Name=REN)

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