Structure of PDB 3q4b Chain A

Receptor sequence
>3q4bA (length=337) Species: 9606 (Homo sapiens) [Search protein sequence]
GNTTSSVILTNYMDTQYYGEIGIGTPPQTFKVVFDTGSSNVWVPSSKCSR
LYTACVYHKLFDASDSSSYKHNGTELTLRYSTGTVSGFLSQDIITVGGIT
VTQMFGEVTEMPALPFMLAEFDGVVGMGFIEQAIGRVTPIFDNIISQGVL
KEDVFSFYYNRDSENSQSLGGQIVLGGSDPQHYEGNFHYINLIKTGVWQI
QMKGVSVGSSTLLCEDGCLALVDTGASYISGSTSSIEKLMEALGAKKRLF
DYVVKCNEGPTLPDISFHLGGKEYTLTSADYVFQESYSSKKLCTLAIHAM
DIPPPTGPTWALGATFIRKFYTEFDRRNNRIGFALAR
3D structure
PDB3q4b Discovery of VTP-27999, an Alkyl Amine Renin Inhibitor with Potential for Clinical Utility.
ChainA
Resolution2.19 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 D223 A226
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 RX5 A T12 Q13 Y14 D32 G34 Y75 S76 T77 P111 F112 F117 D215 T216 G217 A218 T15 Q16 Y17 D35 G37 Y80 S81 T82 P115 F116 F121 D223 T224 G225 A226 PDBbind-CN: -logKd/Ki=9.33,IC50=0.47nM
BindingDB: IC50=0.47nM
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:3q4b, PDBe:3q4b, PDBj:3q4b
PDBsum3q4b
PubMed24900262
UniProtP00797|RENI_HUMAN Renin (Gene Name=REN)

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