BioLiP

Structure of PDB 4gj7 Chain A

Receptor sequence

>4gj7A (length=335) Species: 9606 (Homo sapiens) [Search protein sequence]

TLGNTTSSVILTNYMDTQYYGEIGIGTPPQTFKVVFDTGSSNVWVPSSKC
SRLYTACVYHKLFDASDSSSYKHNGTELTLRYSTGTVSGFLSQDIITVGG
ITVTQMFGEVTEMPALPFMLAEFDGVVGMGFIEQAIGRVTPIFDNIISQG
VLKEDVFSFYYNRDQSLGGQIVLGGSDPQHYEGNFHYINLIKTGVWQIQM
KGVSVGSSTLLCEDGCLALVDTGASYISGSTSSIEKLMEALGAKKRLFDY
VVKCNEGPTLPDISFHLGGKEYTLTSADYVFQESYSSKKLCTLAIHAMDI
PPPTGPTWALGATFIRKFYTEFDRRNNRIGFALAR

3D structure

PDB

4gj7 The Discovery of Novel Potent trans-3,4-Disubstituted Pyrrolidine Inhibitors of the Human Aspartic Protease Renin from in Silico Three-Dimensional (3D) Pharmacophore Searches.

Chain

Resolution

2.8 Å

3D
structure

Catalytic site residues are labeled in the structure
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Enzymatic activity

Catalytic site (original residue number in PDB)	D32 S35 N37 W39 Y75 D215 A218
Catalytic site (residue number reindexed from 1)	D37 S40 N42 W44 Y82 D221 A224
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	0LT	A	T12 Q13 Y14 V30 D32 G34 Y75 T77 L114 A115 F117 V120 L213 D215 G217 A218 S219	T17 Q18 Y19 V35 D37 G39 Y82 T84 L120 A121 F123 V126 L219 D221 G223 A224 S225	PDBbind-CN: -logKd/Ki=6.77,IC50=0.17uM BindingDB: IC50=170nM

Gene Ontology

	Molecular Function
GO:0004190	aspartic-type endopeptidase activity

	Biological Process
GO:0006508	proteolysis

View graph for
Molecular Function

View graph for
Biological Process

PDB	RCSB:4gj7, PDBe:4gj7, PDBj:4gj7
PDBsum	4gj7
PubMed	23425156
UniProt	P00797\|RENI_HUMAN Renin (Gene Name=REN)