Structure of PDB 4dh6 Chain A

Receptor sequence
>4dh6A (length=367) Species: 9606 (Homo sapiens) [Search protein sequence]
FVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFL
HRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRAN
IAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPN
LFSLQLCGASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEIN
GQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPD
GFWLGEQLVCWQATPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVDD
CYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTA
AVEGPFVTLDMEDCGYN
3D structure
PDB4dh6 Design and preparation of a potent series of hydroxyethylamine containing beta-secretase inhibitors that demonstrate robust reduction of central beta-amyloid.
ChainA
Resolution2.5 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) D34 S37 N39 A41 Y73 D219 T222
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 0KN A L30 D32 G34 P70 Y71 T72 F108 W115 D228 G230 T329 V332 L32 D34 G36 P72 Y73 T74 F110 W117 D219 G221 T311 V314 MOAD: ic50=16.8nM
PDBbind-CN: -logKd/Ki=7.77,IC50=16.8nM
BindingDB: 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:4dh6, PDBe:4dh6, PDBj:4dh6
PDBsum4dh6
PubMed22468639
UniProtP56817|BACE1_HUMAN Beta-secretase 1 (Gene Name=BACE1)

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