Structure of PDB 2ze1 Chain A

Receptor sequence
>2ze1A (length=360) Species: 9606 (Homo sapiens) [Search protein sequence]
FVEMVDNLRQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYY
QRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAI
TESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSL
QLCGAGFSVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQ
DLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGF
WLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPCYK
FAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVE
GPFVTEDCGY
3D structure
PDB2ze1 Acylguanidine inhibitors of beta-secretase: optimization of the pyrrole ring substituents extending into the S1 and S3 substrate binding pockets.
ChainA
Resolution2.2 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) D94 S97 N99 A101 Y133 D290 T293
Catalytic site (residue number reindexed from 1) D30 S33 N35 A37 Y69 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 411 A Q74 G75 D94 G96 S97 V131 Y133 W138 F170 W177 D290 G292 T293 T294 Q10 G11 D30 G32 S33 V67 Y69 W74 F106 W113 D217 G219 T220 T221 MOAD: ic50=0.6uM
PDBbind-CN: -logKd/Ki=6.22,IC50=0.6uM
BindingDB: IC50=600nM
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:2ze1, PDBe:2ze1, PDBj:2ze1
PDBsum2ze1
PubMed18162398
UniProtP56817|BACE1_HUMAN Beta-secretase 1 (Gene Name=BACE1)

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