Structure of PDB 2vj9 Chain A

Receptor sequence
>2vj9A (length=374) Species: 9606 (Homo sapiens) [Search protein sequence]
EMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHR
YYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPQVTVRANIA
AITESDKFFIQGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLF
SLQLCGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKM
DCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGE
QLVCWQAGTTPWNIFPVISLYLMGEVTQQSFRITILPQQYLRPVEDVATS
QDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEF
RTAAVEGPFVTLDMEDCGYNIPQT
3D structure
PDB2vj9 Bace-1 Inhibitors Part 2: Identification of Hydroxy Ethylamines (Heas) with Reduced Peptidic Character.
ChainA
Resolution1.6 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 D213 T216
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 VG7 A G74 L91 D93 G95 Y132 T133 Q134 F169 W176 Y259 D289 G291 T292 T293 N294 T450 G13 L30 D32 G34 Y71 T72 Q73 F108 W115 Y183 D213 G215 T216 T217 N218 T374 MOAD: ic50=180nM
PDBbind-CN: -logKd/Ki=6.74,IC50=180nM
BindingDB: IC50=180nM
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:2vj9, PDBe:2vj9, PDBj:2vj9
PDBsum2vj9
PubMed18166458
UniProtP56817|BACE1_HUMAN Beta-secretase 1 (Gene Name=BACE1)

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