Structure of PDB 5mcq Chain A

Receptor sequence

>5mcqA (length=393) Species: 9606 (Homo sapiens)

RRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAP
HPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVT
VRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQT
HVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIR
REWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAA
VKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQ
SFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVV
FDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIP

3D structure

• PDB: 5mcq Potent and Selective BACE-1 Peptide Inhibitors Lower Brain A beta Levels Mediated by Brain Shuttle Transport.
• Chain: A
• Resolution: 1.82 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): D93 S96 N98 A100 Y132 D289 T292
• Catalytic site (residue number reindexed from 1): D38 S41 N43 A45 Y77 D234 T237
• 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	peptide	A	G72 D93 G95 P131 Y132 T133 Q134 I187 Y259 D284 K285 D289 G291 T292 T293 N294 F318 P319 E326 Q327 L328 V329 C330 W331 Q332 D378 K382	G17 D38 G40 P76 Y77 T78 Q79 I132 Y204 D229 K230 D234 G236 T237 T238 N239 F263 P264 E271 Q272 L273 V274 C275 W276 Q277 D323 K327

Gene Ontology

Molecular Function

• GO:0004190 aspartic-type endopeptidase activity

Biological Process

• GO:0006508 proteolysis

Cellular Component

• GO:0016020 membrane

External links

• PDB: RCSB:5mcq, PDBe:5mcq, PDBj:5mcq
• PDBsum: 5mcq
• PubMed: 28923680
• UniProt: P56817|BACE1_HUMAN Beta-secretase 1 (Gene Name=BACE1)