4J1I

CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH 5-Cyano-pyridine-2-carboxylic acid [3-((4R,5R,6R)-2-amino-5-fluoro-4-methyl-6-trifluoromethyl-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	4
Details	BINDING SITE FOR RESIDUE NA A 501

Chain	Residue
A	HIS242
A	TYR245
A	HOH1080
A	HOH1134

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site_id	AC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE NA A 502

Chain	Residue
A	VAL202
A	THR205
A	HOH1088
A	HOH1089

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site_id	AC3
Number of Residues	2
Details	BINDING SITE FOR RESIDUE DMS A 503

Chain	Residue
A	ASN159
A	ARG157

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site_id	AC4
Number of Residues	12
Details	BINDING SITE FOR RESIDUE 1HH A 504

Chain	Residue
A	GLY72
A	GLN73
A	GLY74
A	LEU91
A	ASP93
A	TYR132
A	PHE169
A	ASP289
A	SER290
A	GLY291
A	THR293
A	ALA396

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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	ACT_SITE: ACT_SITE => ECO:0000255|PROSITE-ProRule:PRU10094

Chain	Residue	Details
A	ASP93
A	ASP289

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site_id	SWS_FT_FI2
Number of Residues	7
Details	MOD_RES: N6-acetyllysine => ECO:0000269|PubMed:17425515, ECO:0000269|PubMed:19011241

Chain	Residue	Details
A	LYS126
A	LYS275
A	LYS279
A	LYS285
A	LYS299
A	LYS300
A	ALA307

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site_id	SWS_FT_FI3
Number of Residues	4
Details	CARBOHYD: N-linked (GlcNAc...) asparagine => ECO:0000255

Chain	Residue	Details
A	ASN153
A	ASN172
A	ASN223
A	ASN354

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