Structure of PDB 3q5h Chain B

Receptor sequence
>3q5hB (length=338) Species: 9606 (Homo sapiens) [Search protein sequence]
LGNTTSSVILTNYMDTQYYGEIGIGTPPQTFKVVFDTGSSNVWVPSSKCS
RLYTACVYHKLFDASDSSSYKHNGTELTLRYSTGTVSGFLSQDIITVGGI
TVTQMFGEVTEMPALPFMLAEFDGVVGMGFIEQAIGRVTPIFDNIISQGV
LKEDVFSFYYNRDSENSQSLGGQIVLGGSDPQHYEGNFHYINLIKTGVWQ
IQMKGVSVGSSTLLCEDGCLALVDTGASYISGSTSSIEKLMEALGAKKRL
FDYVVKCNEGPTLPDISFHLGGKEYTLTSADYVFQESYSSKKLCTLAIHA
MDIPPPTGPTWALGATFIRKFYTEFDRRNNRIGFALAR
3D structure
PDB3q5h Discovery of VTP-27999, an Alkyl Amine Renin Inhibitor with Potential for Clinical Utility.
ChainB
Resolution2.16 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 Y81 D224 A227
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 RX6 B T12 Q13 Y14 V30 D32 G34 Y75 S76 T77 P111 F112 F117 Y155 D215 T216 G217 A218 T16 Q17 Y18 V34 D36 G38 Y81 S82 T83 P116 F117 F122 Y160 D224 T225 G226 A227 BindingDB: IC50=0.48nM
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:3q5h, PDBe:3q5h, PDBj:3q5h
PDBsum3q5h
PubMed24900262
UniProtP00797|RENI_HUMAN Renin (Gene Name=REN)

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