5YGX

Structure of BACE1 in complex with N-(3-((4R,5R,6S)-2-amino-6-(1,1-difluoroethyl)-5-fluoro-4-methyl-5,6-dihydro-4H-1,3-oxazin-4-yl)-4-fluorophenyl)-5-(fluoromethoxy)pyrazine-2-carboxamide

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004190	molecular_function	aspartic-type endopeptidase activity
A	0006508	biological_process	proteolysis
A	0016020	cellular_component	membrane

Functional Information from PDB Data

site_id	AC1
Number of Residues	5
Details	binding site for residue IOD A 501

Chain	Residue
A	GLU104
A	SER105
A	VAL291
A	HOH650
A	HOH801

---

site_id	AC2
Number of Residues	1
Details	binding site for residue IOD A 502

Chain	Residue
A	LYS107

---

site_id	AC3
Number of Residues	6
Details	binding site for residue GOL A 503

Chain	Residue
A	SER187
A	HOH630
A	HOH676
A	ARG50
A	TYR51
A	GLN53

---

site_id	AC4
Number of Residues	7
Details	binding site for residue GOL A 504

Chain	Residue
A	GLY34
A	SER35
A	VAL69
A	TYR71
A	ARG128
A	TYR198
A	0B5509

---

site_id	AC5
Number of Residues	5
Details	binding site for residue GOL A 505

Chain	Residue
A	SER86
A	ILE87
A	PRO88
A	PRO91
A	ASN92

---

site_id	AC6
Number of Residues	6
Details	binding site for residue GOL A 506

Chain	Residue
A	LEU56
A	HIS181
A	TYR184
A	THR185
A	GLY186
A	HOH735

---

site_id	AC7
Number of Residues	4
Details	binding site for residue GOL A 507

Chain	Residue
A	GLY-3
A	ARG54
A	SER57
A	TYR60

---

site_id	AC8
Number of Residues	2
Details	binding site for residue DMS A 508

Chain	Residue
A	ARG96
A	GLU134

---

site_id	AC9
Number of Residues	16
Details	binding site for residue 0B5 A 509

Chain	Residue
A	GLY11
A	GLN12
A	GLY13
A	LEU30
A	ASP32
A	TYR71
A	PHE108
A	ILE110
A	ASP228
A	SER229
A	GLY230
A	THR232
A	ALA335
A	GOL504
A	HOH739
A	HOH766

---

Functional Information from PROSITE/UniProt

site_id	PS00141
Number of Residues	12
Details	ASP_PROTEASE Eukaryotic and viral aspartyl proteases active site. ILVDTGSSNFAV

Chain	Residue	Details
A	ILE29-VAL40

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	2
Details	Active site: {"evidences":[{"source":"PROSITE-ProRule","id":"PRU10094","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	7
Details	Modified residue: {"description":"N6-acetyllysine","evidences":[{"source":"PubMed","id":"17425515","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"19011241","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	3
Details	Glycosylation: {"description":"N-linked (GlcNAc...) asparagine","evidences":[{"evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---