4J1C

CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH 5-Cyano-pyridine-2-carboxylic acid [3-((S)-2-amino-5,5-difluoro-4-fluoromethyl-5,6-dihydro-4H-[1,3]oxazin-4-yl)-4-fluoro-phenyl]-amide

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 NA A 501

Chain	Residue
A	HIS242
A	TYR245
A	HOH672
A	HOH745
A	HOH801

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site_id	AC2
Number of Residues	5
Details	BINDING SITE FOR RESIDUE NA A 502

Chain	Residue
A	HOH793
A	VAL202
A	THR205
A	HOH733
A	HOH767

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site_id	AC3
Number of Residues	3
Details	BINDING SITE FOR RESIDUE DMS A 503

Chain	Residue
A	ARG157
A	ASN159
A	GLU195

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site_id	AC4
Number of Residues	16
Details	BINDING SITE FOR RESIDUE 1HO A 504

Chain	Residue
A	GLY72
A	GLN73
A	GLY74
A	LEU91
A	ASP93
A	SER96
A	TYR132
A	PHE169
A	ILE171
A	ILE179
A	ASP289
A	SER290
A	GLY291
A	THR293
A	ALA396
A	HOH846

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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	ILE90-VAL101

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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

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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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