Structure of PDB 3sfc Chain A

Receptor sequence
>3sfcA (length=340) Species: 9606 (Homo sapiens) [Search protein sequence]
LTLGNTTSSVILTNYMDTQYYGEIGIGTPPQTFKVVFDTGSSNVWVPSSK
CSRLYTACVYHKLFDASDSSSYKHNGTELTLRYSTGTVSGFLSQDIITVG
GITVTQMFGEVTEMPALPFMLAEFDGVVGMGFIEQAIGRVTPIFDNIISQ
GVLKEDVFSFYYNRDSENSQSLGGQIVLGGSDPQHYEGNFHYINLIKTGV
WQIQMKGVSVGSSTLLCEDGCLALVDTGASYISGSTSSIEKLMEALGAKK
RLFDYVVKCNEGPTLPDISFHLGGKEYTLTSADYVFQESYSSKKLCTLAI
HAMDIPPPTGPTWALGATFIRKFYTEFDRRNNRIGFALAR
3D structure
PDB3sfc Structure-based optimization of potent 4- and 6-azaindole-3-carboxamides as renin inhibitors.
ChainA
Resolution2.1 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) 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 S53 A Q13 V30 D32 Y75 S76 T77 P111 F117 V120 D215 G217 A218 M289 Q19 V36 D38 Y83 S84 T85 P118 F124 V127 D226 G228 A229 M303 MOAD: ic50=0.003uM
PDBbind-CN: -logKd/Ki=8.52,IC50=3nM
BindingDB: IC50=192nM
BS02 S53 A L110 L114 R240 L242 F243 L117 L121 R251 L252 F253 MOAD: ic50=0.003uM
PDBbind-CN: -logKd/Ki=8.52,IC50=3nM
BindingDB: IC50=192nM
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:3sfc, PDBe:3sfc, PDBj:3sfc
PDBsum3sfc
PubMed21840218
UniProtP00797|RENI_HUMAN Renin (Gene Name=REN)

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