Structure of PDB 3uqr Chain B Binding Site BS01

Receptor Information

>3uqr Chain B (length=374) Species: 9606 (Homo sapiens)

SFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPF
LHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRA
NIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVP
NLFSLQLCGAVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEIN
GQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPD
GFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPV
EDSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVH
DEFRTAAVEGPFVTLDMEDCGYNI

Ligand information

>3uqr Chain E (length=5) Species: 32630 (synthetic construct)

FLAFP

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3uqr 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: 3.056 Å
• Binding residue (original residue number in PDB): G13 L30 D32 G34 S35 P70 Y71 T72 Q73 F108 I110 W115 I118 I126 W197 Y198 D228 G230 T232 N233 R235 S325
• Binding residue (residue number reindexed from 1): G16 L33 D35 G37 S38 P73 Y74 T75 Q76 F111 I113 W118 I121 I129 W188 Y189 D219 G221 T223 N224 R226 S313

Enzymatic activity

• Catalytic site (original residue number in PDB): D32 S35 N37 A39 Y71 D228 T231
• Catalytic site (residue number reindexed from 1): D35 S38 N40 A42 Y74 D219 T222
• 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:3uqr, PDBe:3uqr, PDBj:3uqr
• PDBsum: 3uqr
• PubMed: 23181502
• UniProt: P56817|BACE1_HUMAN Beta-secretase 1 (Gene Name=BACE1)