Structure of PDB 4xx4 Chain A

Receptor sequence
>4xx4A (length=339) Species: 9606 (Homo sapiens) [Search protein sequence]
TLGNTTSSVILTNYMDTQYYGEIGIGTPPQTFKVVFDTGSSNVWVPSSKC
SRLYTACVYHKLFDASDSSSYKHNGTELTLRYSTGTVSGFLSQDIITVGG
ITVTQMFGEVTEMPALPFMLAEFDGVVGMGFIEQAIGRVTPIFDNIISQG
VLKEDVFSFYYNRDSENSQSLGGQIVLGGSDPQHYEGNFHYINLIKTGVW
QIQMKGVSVGSSTLLCEDGCLALVDTGASYISGSTSSIEKLMEALGAKKR
LFDYVVKCNEGPTLPDISFHLGGKEYTLTSADYVFQESYSSKKLCTLAIH
AMDIPPPTGPTWALGATFIRKFYTEFDRRNNRIGFALAR
3D structure
PDB4xx4 Iminopyrimidinones: a novel pharmacophore for the development of orally active renin inhibitors.
ChainA
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) D37 S40 N42 W44 Y82 D225 A228
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 70Y A D104 Y149 T151 P184 A188 D292 G294 A295 S296 M369 D37 Y82 T84 P117 A121 D225 G227 A228 S229 M302 MOAD: Ki=44nM
PDBbind-CN: -logKd/Ki=7.36,Ki=44nM
BindingDB: Ki=44nM
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:4xx4, PDBe:4xx4, PDBj:4xx4
PDBsum4xx4
PubMed25728416
UniProtP00797|RENI_HUMAN Renin (Gene Name=REN)

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