Structure of PDB 4gj9 Chain A

Receptor sequence
>4gj9A (length=333) Species: 9606 (Homo sapiens) [Search protein sequence]
LGNTTSSVILTNYMDTQYYGEIGIGTPPQTFKVVFDTGSSNVWVPSSKCS
TACVYHKLFDASDSSSYKHNGTELTLRYSTGTVSGFLSQDIITVGGITVT
QMFGEVTEMPALPFMLAEFDGVVGMGFIEQAIGRVTPIFDNIISQGVLKE
DVFSFYYNRDSSQSLGGQIVLGGSDPQHYEGNFHYINLIKTGVWQIQMKG
VSVGSSTLLCEDGCLALVDTGASYISGSTSSIEKLMEALGAKKRLFDYVV
KCNEGPTLPDISFHLGGKEYTLTSADYVFQESYSSKKLCTLAIHAMDIPP
PTGPTWALGATFIRKFYTEFDRRNNRIGFALAR
3D structure
PDB4gj9 A novel class of oral direct Renin inhibitors: highly potent 3,5-disubstituted piperidines bearing a tricyclic p3-p1 pharmacophore.
ChainA
Resolution2.6 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) D36 S39 N41 W43 Y78 D219 A222
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 0M2 A Q13 Y14 V30 Y75 T77 P111 F112 A115 F117 T216 G217 S219 Q17 Y18 V34 Y78 T80 P113 F114 A117 F119 T220 G221 S223 PDBbind-CN: -logKd/Ki=3.30,Kd>500uM
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:4gj9, PDBe:4gj9, PDBj:4gj9
PDBsum4gj9
PubMed23360239
UniProtP00797|RENI_HUMAN Renin (Gene Name=REN)

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