Structure of PDB 2ph8 Chain A

Receptor sequence
>2ph8A (length=365) Species: 9606 (Homo sapiens) [Search protein sequence]
GSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHP
FLHRYYQRQLSSTYRDLRKGVYVPYTQGAWAGELGTDLVSIPHGPNVTVR
ANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHV
PNLFSLQLCGGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEING
QDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDG
FWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVS
QDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACFRTAAV
EGPFVTLDMEDCGYN
3D structure
PDB2ph8 Strategies toward improving the brain penetration of macrocyclic tertiary carbinamine BACE-1 inhibitors.
ChainA
Resolution1.7 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 D218 T221
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 35A A L30 D32 G34 Y71 T72 Q73 D228 G230 T231 T232 N233 R235 L34 D36 G38 Y75 T76 Q77 D218 G220 T221 T222 N223 R225 MOAD: ic50=1800nM
PDBbind-CN: -logKd/Ki=5.74,IC50=1800nM
Gene Ontology
Molecular Function
GO:0004190 aspartic-type endopeptidase activity
Biological Process
GO:0006508 proteolysis
Cellular Component
GO:0016020 membrane

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Biological Process
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Cellular Component
External links
PDB RCSB:2ph8, PDBe:2ph8, PDBj:2ph8
PDBsum2ph8
PubMed17827011
UniProtP56817|BACE1_HUMAN Beta-secretase 1 (Gene Name=BACE1)

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