Structure of PDB 3skg Chain A

Receptor sequence
>3skgA (length=386) Species: 9606 (Homo sapiens) [Search protein sequence]
FVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFL
HRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRAN
IAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPN
LFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWY
YEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSI
KAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRI
TILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRA
RKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGY
3D structure
PDB3skg Synthesis and in vivo evaluation of cyclic diaminopropane BACE-1 inhibitors.
ChainA
Resolution2.88 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 D230 T233
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 PB8 A G11 Q12 L30 D32 G34 Y71 T72 Q73 F108 I110 W115 Y198 D228 G230 T231 T232 R235 G13 Q14 L32 D34 G36 Y73 T74 Q75 F110 I112 W117 Y200 D230 G232 T233 T234 R237 PDBbind-CN: -logKd/Ki=8.10,IC50=8nM
BindingDB: IC50=9.5nM
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:3skg, PDBe:3skg, PDBj:3skg
PDBsum3skg
PubMed21974952
UniProtP56817|BACE1_HUMAN Beta-secretase 1 (Gene Name=BACE1)

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