Structure of PDB 4zpg Chain A

Receptor sequence
>4zpgA (length=369) Species: 9606 (Homo sapiens) [Search protein sequence]
GSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHP
FLHRYYQRQLSSTYRDLRKGVYVPYTQGAWAGELGTDLVSIPHGPNVTVR
ANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHV
PNLFSLQLCGSVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEI
NGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFP
DGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRP
VSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACDEFR
TAAVEGPFVTLDMEDCGYN
3D structure
PDB4zpg Methyl-substitution of an iminohydantoin spiropiperidine beta-secretase (BACE-1) inhibitor has a profound effect on its potency.
ChainA
Resolution2.0 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) D36 S39 N41 A43 Y75 D220 T223
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 4QF A L30 D32 Y71 Q73 G74 F108 I110 W115 Y198 G230 L34 D36 Y75 Q77 G78 F112 I114 W119 Y190 G222 MOAD: ic50=0.055uM
PDBbind-CN: -logKd/Ki=7.26,IC50=0.055uM
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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Cellular Component
External links
PDB RCSB:4zpg, PDBe:4zpg, PDBj:4zpg
PDBsum4zpg
PubMed26195137
UniProtP56817|BACE1_HUMAN Beta-secretase 1 (Gene Name=BACE1)

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