Structure of PDB 6uvp Chain B

Receptor sequence

>6uvpB (length=385) Species: 9606 (Homo sapiens)

FVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFL
HRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRAN
IAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPN
LFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWY
YEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSI
KAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRI
TILPQQYLRPVEDVSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARK
RIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYN

3D structure

• PDB: 6uvp Preparation and biological evaluation of BACE1 inhibitors: Leveraging trans-cyclopropyl moieties as ligand efficient conformational constraints.
• Chain: B
• Resolution: 1.56 Å

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 D230 T233
• 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	QJJ	B	S10 G11 Q12 G13 D32 Y71 I110 D228 G230 T232	S12 G13 Q14 G15 D34 Y73 I112 D230 G232 T234	BindingDB: IC50=>100000nM
BS02	QJJ	B	T82 R96 N98 S132 E134	T84 R98 N100 S134 E136	BindingDB: IC50=>100000nM
BS03	QJJ	B	S164 E165	S166 E167	BindingDB: IC50=>100000nM
BS04	QJM	B	D363 E364 F365 R366 T367	D363 E364 F365 R366 T367

Gene Ontology

Molecular Function

• GO:0004190 aspartic-type endopeptidase activity

Biological Process

• GO:0006508 proteolysis

Cellular Component

• GO:0016020 membrane

External links

• PDB: RCSB:6uvp, PDBe:6uvp, PDBj:6uvp
• PDBsum: 6uvp
• PubMed: 31786008
• UniProt: P56817|BACE1_HUMAN Beta-secretase 1 (Gene Name=BACE1)