Structure of PDB 4dv9 Chain A Binding Site BS01

Receptor Information

>4dv9 Chain A (length=379) Species: 9606 (Homo sapiens)

RRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAP
HPFLHRYYQRQLSSTYRDLRKGVYVPYTQGAWAGELGTDLVSIPHGPNVT
VRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQT
HVPNLFSLQLCGAVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRV
EINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEK
FPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYL
RPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAV
SACHVHDEFRTAAVEGPFVTLDMEDCGYN

Ligand information

>4dv9 Chain B (length=8) Species: 32630 (synthetic construct)

AVQFLAFP

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4dv9 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: 2.076 Å
• Binding residue (original residue number in PDB): G11 L30 D32 G34 P70 Y71 T72 Q73 F108 W115 I126 W197 Y198 D228 G230 T231 T232 R235
• Binding residue (residue number reindexed from 1): G17 L36 D38 G40 P76 Y77 T78 Q79 F114 W121 I132 W191 Y192 D222 G224 T225 T226 R229

Enzymatic activity

• Catalytic site (original residue number in PDB): D32 S35 N37 A39 Y71 D228 T231
• Catalytic site (residue number reindexed from 1): D38 S41 N43 A45 Y77 D222 T225
• 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:4dv9, PDBe:4dv9, PDBj:4dv9
• PDBsum: 4dv9
• PubMed: 23181502
• UniProt: P56817|BACE1_HUMAN Beta-secretase 1 (Gene Name=BACE1)