Structure of PDB 4dvf Chain B Binding Site BS01

Receptor Information

>4dvf Chain B (length=373) Species: 9606 (Homo sapiens)

FVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFL
HRYYQRQLSSTYRDLRKGVYVPYTQGAWAGELGTDLVSIPHGPNVTVRAN
IAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPN
LFSLQLCGASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEIN
GQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPD
GFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPV
ESQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHD
EFRTAAVEGPFVTLDMEDCGYNI

Ligand information

>4dvf Chain D (length=5) Species: 32630 (synthetic construct)

FLAFP

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4dvf 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: 1.803 Å
• Binding residue (original residue number in PDB): G11 Q12 G13 L30 D32 G34 P70 Y71 T72 Q73 F108 W115 I118 I126 W197 Y198 D228 G230 T231 T232 N233 R235
• Binding residue (residue number reindexed from 1): G13 Q14 G15 L32 D34 G36 P72 Y73 T74 Q75 F110 W117 I120 I128 W188 Y189 D219 G221 T222 T223 N224 R226

Enzymatic activity

• Catalytic site (original residue number in PDB): D32 S35 N37 A39 Y71 D228 T231
• Catalytic site (residue number reindexed from 1): D34 S37 N39 A41 Y73 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:4dvf, PDBe:4dvf, PDBj:4dvf
• PDBsum: 4dvf
• PubMed: 23181502
• UniProt: P56817|BACE1_HUMAN Beta-secretase 1 (Gene Name=BACE1)