Structure of PDB 3uqp Chain A Binding Site BS01

Receptor Information

>3uqp Chain A (length=374) Species: 9606 (Homo sapiens)

GSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHP
FLHRYYQRQLSSTYRDLRKGVYVPYTQGAWAGELGTDLVSIPHGPNVTVR
ANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHV
PNLFSLQLCGAVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEI
NGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFP
DGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRP
VEDSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHV
HDEFRTAAVEGPFVTLDMEDCGYN

Ligand information

>3uqp Chain B (length=7) Species: 32630 (synthetic construct)

VQFLAFP

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3uqp Cyanobacterial Peptides as a Prototype for the Design of Potent beta-Secretase Inhibitors and the Development of Selective Chemical Probes for Other Aspartic Proteases
• Resolution: 1.77 Å
• Binding residue (original residue number in PDB): G11 Q12 D32 G34 P70 Y71 T72 Q73 F108 W115 I126 R128 W197 D228 G230 T231 T232 N233
• Binding residue (residue number reindexed from 1): G15 Q16 D36 G38 P74 Y75 T76 Q77 F112 W119 I130 R132 W189 D220 G222 T223 T224 N225

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.

Gene Ontology

Molecular Function

• GO:0004190 aspartic-type endopeptidase activity

Biological Process

• GO:0006508 proteolysis

Cellular Component

• GO:0016020 membrane

External links

• PDB: RCSB:3uqp, PDBe:3uqp, PDBj:3uqp
• PDBsum: 3uqp
• PubMed: 23181502
• UniProt: P56817|BACE1_HUMAN Beta-secretase 1 (Gene Name=BACE1)