Structure of PDB 2wf2 Chain A

Receptor sequence
>2wf2A (length=374) Species: 9606 (Homo sapiens) [Search protein sequence]
EMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHR
YYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPQVTVRANIA
AITESDKFFIQGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLF
SLQLCGASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQ
DLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGF
WLGEQLVCWQAGTTPWNIFPVISLYLMGEVTQQSFRITILPQQYLRPVED
VATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHV
HDEFRTAAVEGPFVTLDMEDCGYN
3D structure
PDB2wf2 Second Generation of Bace-1 Inhibitors Part 2: Optimisation of the Non-Prime Side Substituent.
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) D32 S35 N37 A39 Y71 D217 T220
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 ZY2 A L91 D93 G95 S96 Y132 T133 Q134 F169 W176 I179 D289 G291 T292 T293 N294 N446 L30 D32 G34 S35 Y71 T72 Q73 F108 W115 I118 D217 G219 T220 T221 N222 N374 MOAD: ic50=0.026uM
PDBbind-CN: -logKd/Ki=7.59,IC50=26nM
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:2wf2, PDBe:2wf2, PDBj:2wf2
PDBsum2wf2
PubMed19477642
UniProtP56817|BACE1_HUMAN Beta-secretase 1 (Gene Name=BACE1)

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