Structure of PDB 4xx3 Chain A

Receptor sequence
>4xx3A (length=339) Species: 9606 (Homo sapiens) [Search protein sequence]
TLGNTTSSVILTNYMDTQYYGEIGIGTPPQTFKVVFDTGSSNVWVPSSKC
SRLYTACVYHKLFDASDSSSYKHNGTELTLRYSTGTVSGFLSQDIITVGG
ITVTQMFGEVTEMPALPFMLAEFDGVVGMGFIEQAIGRVTPIFDNIISQG
VLKEDVFSFYYNRDSENSQSLGGQIVLGGSDPQHYEGNFHYINLIKTGVW
QIQMKGVSVGSSTLLCEDGCLALVDTGASYISGSTSSIEKLMEALGAKKR
LFDYVVKCNEGPTLPDISFHLGGKEYTLTSADYVFQESYSSKKLCTLAIH
AMDIPPPTGPTWALGATFIRKFYTEFDRRNNRIGFALAR
3D structure
PDB4xx3 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
[Spin on]
[Spin off]
[Reset orientation]

[High quality]
[Low quality]

[White background]
[Black background]

[Download]
[Download structure with residue number starting from 1]
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 70X A T84 Q85 Y86 V102 D104 Y149 T151 D292 T293 G294 A295 S296 T17 Q18 Y19 V35 D37 Y82 T84 D225 T226 G227 A228 S229 MOAD: Ki=56nM
PDBbind-CN: -logKd/Ki=7.25,Ki=56nM
BindingDB: Ki=56nM
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
External links
PDB RCSB:4xx3, PDBe:4xx3, PDBj:4xx3
PDBsum4xx3
PubMed25728416
UniProtP00797|RENI_HUMAN Renin (Gene Name=REN)

[Back to BioLiP]