Structure of PDB 3ivh Chain A

Receptor sequence
>3ivhA (length=379) Species: 9606 (Homo sapiens) [Search protein sequence]
SFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPF
LHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRA
NIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVP
NLFSLQLCGAGQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEV
IIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAA
SSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITIL
PQQYLRPVEDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVS
ACHVHDEFRTAAVEGPFVTLDMEDCGYNI
3D structure
PDB3ivh Design and synthesis of cell potent BACE-1 inhibitors: structure-activity relationship of P1' substituents.
ChainA
Resolution1.8 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) D93 S96 N98 A100 Y132 D289 T292
Catalytic site (residue number reindexed from 1) D35 S38 N40 A42 Y74 D227 T230
Enzyme Commision number 3.4.23.46: memapsin 2.
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 1LI A D93 G95 S96 Y132 T133 F169 Y259 I287 D289 G291 D35 G37 S38 Y74 T75 F111 Y197 I225 D227 G229 MOAD: ic50=47nM
PDBbind-CN: -logKd/Ki=7.33,IC50=47nM
BindingDB: IC50=47nM
Gene Ontology
Molecular Function
GO:0004190 aspartic-type endopeptidase activity
Biological Process
GO:0006508 proteolysis
Cellular Component
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3ivh, PDBe:3ivh, PDBj:3ivh
PDBsum3ivh
PubMed19811916
UniProtP56817|BACE1_HUMAN Beta-secretase 1 (Gene Name=BACE1)

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