6C2I

Structure of Bace-1 (Beta-Secretase) in complex with : N-(3-((1R,5S,6R)-3-amino-5-methyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-5-yl)-4-fluorophenyl)-5-methoxypyrazine-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	3
Details	binding site for residue IOD A 401

Chain	Residue
A	GLU103
A	SER104
A	HOH787

---

site_id	AC2
Number of Residues	1
Details	binding site for residue IOD A 402

Chain	Residue
A	LYS106

---

site_id	AC3
Number of Residues	9
Details	binding site for residue GOL A 404

Chain	Residue
A	HOH525
A	HOH561
A	HOH571
A	HOH726
A	ARG49
A	TYR50
A	GLN52
A	SER186
A	HOH514

---

site_id	AC4
Number of Residues	7
Details	binding site for residue GOL A 405

Chain	Residue
A	GLY65
A	TYR67
A	CYS268
A	THR313
A	HOH501
A	HOH555
A	HOH638

---

site_id	AC5
Number of Residues	6
Details	binding site for residue SO4 A 406

Chain	Residue
A	ARG53
A	GLN54
A	ASP345
A	ARG348
A	ARG350
A	HOH570

---

site_id	AC6
Number of Residues	14
Details	binding site for residue EJ7 A 407

Chain	Residue
A	GLY10
A	GLN11
A	GLY12
A	LEU29
A	ASP31
A	TYR70
A	PHE107
A	ILE117
A	ASP227
A	SER228
A	GLY229
A	THR231
A	ALA334
A	HOH628

---

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	ILE28-VAL39

---

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

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