Structure of PDB 4xx3 Chain B

Receptor sequence
>4xx3B (length=338) Species: 9606 (Homo sapiens) [Search protein sequence]
LTLGNTTSSVILTNYMDTQYYGEIGIGTPPQTFKVVFDTGSSNVWVPSSK
CSRLYTACVYHKLFDASDSSSYKHNGTELTLRYSTGTVSGFLSQDIITVG
GITVTQMFGEVTEMPALPFMLAEFDGVVGMGFIEQAIGRVTPIFDNIISQ
GVLKEDVFSFYYNRDSSQSLGGQIVLGGSDPQHYEGNFHYINLIKTGVWQ
IQMKGVSVGSSTLLCEDGCLALVDTGASYISGSTSSIEKLMEALGAKKRL
FDYVVKCNEGPTLPDISFHLGGKEYTLTSADYVFQESYSSKKLCTLAIHA
MDIPPPTGPTWALGATFIRKFYTEFDRRNNRIGFALAR
3D structure
PDB4xx3 Iminopyrimidinones: a novel pharmacophore for the development of orally active renin inhibitors.
ChainB
Resolution2.4 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) D104 S107 N109 W111 Y149 D292 A295
Catalytic site (residue number reindexed from 1) D38 S41 N43 W45 Y83 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 70X B T84 Q85 Y86 V102 D104 Y149 S150 T151 D292 T293 G294 A295 S296 M369 T18 Q19 Y20 V36 D38 Y83 S84 T85 D224 T225 G226 A227 S228 M301 MOAD: Ki=56nM
BindingDB: Ki=56nM
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:4xx3, PDBe:4xx3, PDBj:4xx3
PDBsum4xx3
PubMed25728416
UniProtP00797|RENI_HUMAN Renin (Gene Name=REN)

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