4DH6

Structure of Bace-1 (Beta-Secretase) in Complex with (2R)-N-((2S,3R)-1-(benzo[d][1,3]dioxol-5-yl)-3-hydroxy-4-((S)-6'-neopentyl-3',4'-dihydrospiro[cyclobutane-1,2'-pyrano[2,3-b]pyridine]-4'-ylamino)butan-2-yl)-2-methoxypropanamide

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	2
Details	BINDING SITE FOR RESIDUE IOD A 401

Chain	Residue
A	GLU104
A	SER105

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site_id	AC2
Number of Residues	1
Details	BINDING SITE FOR RESIDUE IOD A 405

Chain	Residue
A	TYR222

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site_id	AC3
Number of Residues	1
Details	BINDING SITE FOR RESIDUE IOD A 406

Chain	Residue
A	TYR68

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site_id	AC4
Number of Residues	3
Details	BINDING SITE FOR RESIDUE IOD A 407

Chain	Residue
A	TYR68
A	PRO70
A	LEU267

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site_id	AC5
Number of Residues	6
Details	BINDING SITE FOR RESIDUE IOD A 408

Chain	Residue
A	ILE179
A	HIS181
A	TYR184
A	LEU188
A	GLN55
A	LEU56

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site_id	AC6
Number of Residues	9
Details	BINDING SITE FOR RESIDUE GOL A 409

Chain	Residue
A	LYS9
A	GLY11
A	GLN12
A	GLY13
A	SER229
A	THR232
A	ALA335
A	GLU339
A	HOH574

---

site_id	AC7
Number of Residues	3
Details	BINDING SITE FOR RESIDUE GOL A 410

Chain	Residue
A	ARG50
A	TYR51
A	HOH532

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site_id	AC8
Number of Residues	15
Details	BINDING SITE FOR RESIDUE 0KN A 411

Chain	Residue
A	LEU30
A	ASP32
A	GLY34
A	SER35
A	PRO70
A	TYR71
A	THR72
A	PHE108
A	ILE110
A	TRP115
A	ASP228
A	GLY230
A	THR231
A	ARG235
A	THR329

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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

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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

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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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