Structure of PDB 4gid Chain C

Receptor sequence

>4gidC (length=388) Species: 9606 (Homo sapiens)

SFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPF
LHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRA
NIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVP
NLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREW
YYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKS
IKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFR
ITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDR
ARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYN

3D structure

• PDB: 4gid Structure-based design of highly selective beta-secretase inhibitors: synthesis, biological evaluation, and protein-ligand X-ray crystal structure.
• Chain: C
• Resolution: 2.0 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): D80 S83 N85 A87 Y119 D276 T279
• Catalytic site (residue number reindexed from 1): D35 S38 N40 A42 Y74 D231 T234
• 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	0GH	C	G59 Q60 G61 D80 G82 S83 Y119 T120 Q121 F156 I166 D276 G278 T279 T280 N281 R283	G14 Q15 G16 D35 G37 S38 Y74 T75 Q76 F111 I121 D231 G233 T234 T235 N236 R238	MOAD: Ki=0.017nM
BS02	LPD	C	G56 C203 A205 L209 S217 V218	G11 C158 A160 L164 S172 V173

Gene Ontology

Molecular Function

• GO:0004190 aspartic-type endopeptidase activity

Biological Process

• GO:0006508 proteolysis

Cellular Component

• GO:0016020 membrane

External links

• PDB: RCSB:4gid, PDBe:4gid, PDBj:4gid
• PDBsum: 4gid
• PubMed: 22954357
• UniProt: P56817|BACE1_HUMAN Beta-secretase 1 (Gene Name=BACE1)