Structure of PDB 2b8v Chain A

Receptor sequence
>2b8vA (length=373) Species: 9606 (Homo sapiens) [Search protein sequence]
RRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAP
HPFLHRYYQRQLSSTYRDLRKGVYVPYTQGAWAGELGTDLVSIPHGPNVT
VRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQT
HVPNLFSLQLCGAGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVE
INGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKF
PDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLR
PVEQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVH
DEFRTAAVEGPFVTLDMEDCGYN
3D structure
PDB2b8v Conformationally biased P3 amide replacements of beta-secretase inhibitors.
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) D32 S35 N37 A39 Y71 D228 T231
Catalytic site (residue number reindexed from 1) D38 S41 N43 A45 Y77 D221 T224
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 3BN A Q12 G13 L30 D32 G34 Y71 T72 Q73 F108 I110 W115 I226 D228 G230 T231 T232 N233 R235 Q18 G19 L36 D38 G40 Y77 T78 Q79 F114 I116 W121 I219 D221 G223 T224 T225 N226 R228 MOAD: ic50=98nM
PDBbind-CN: -logKd/Ki=7.01,IC50=98nM
BindingDB: IC50=98nM
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:2b8v, PDBe:2b8v, PDBj:2b8v
PDBsum2b8v
PubMed16263281
UniProtP56817|BACE1_HUMAN Beta-secretase 1 (Gene Name=BACE1)

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