Structure of PDB 6bfe Chain A

Receptor sequence
>6bfeA (length=393) Species: 9606 (Homo sapiens) [Search protein sequence]
PGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGA
APHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPN
VTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVK
QTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTP
IRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFE
AAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVT
NQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFY
VVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYN
3D structure
PDB6bfe Optimization of Hydroxyethylamine Transition State Isosteres as Aspartic Protease Inhibitors by Exploiting Conformational Preferences.
ChainA
Resolution1.51 Å
3D
structure
Catalytic site residues are labeled in the structure
[Spin on]
[Spin off]
[Reset orientation]

[High quality]
[Low quality]

[White background]
[Black background]

[Download]
[Download structure with residue number starting from 1]
Enzymatic activity
Catalytic site (original residue number in PDB) D32 S35 N37 A39 Y71 D228 T231
Catalytic site (residue number reindexed from 1) D40 S43 N45 A47 Y79 D236 T239
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 DJV A D32 G34 S35 Y71 T72 Q73 G74 F108 W115 I126 D228 G230 D40 G42 S43 Y79 T80 Q81 G82 F116 W123 I134 D236 G238 MOAD: ic50=1.4uM
PDBbind-CN: -logKd/Ki=5.85,IC50=1.40uM
Gene Ontology
Molecular Function
GO:0004190 aspartic-type endopeptidase activity
Biological Process
GO:0006508 proteolysis
Cellular Component
GO:0016020 membrane

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:6bfe, PDBe:6bfe, PDBj:6bfe
PDBsum6bfe
PubMed29088532
UniProtP56817|BACE1_HUMAN Beta-secretase 1 (Gene Name=BACE1)

[Back to BioLiP]