6JSG

Crystal Structure of BACE1 in complex with N-{3-[(4S)-2-amino-4-methyl-5,6-dihydro-4H-1,3-thiazin-4-yl]-4-fluorophenyl}-5-chloropyridine-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	2
Details	binding site for residue IOD A 501

Chain	Residue
A	SER129
A	HOH747

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

Chain	Residue
A	ARG373

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site_id	AC3
Number of Residues	1
Details	binding site for residue IOD A 503

Chain	Residue
A	LYS131

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site_id	AC4
Number of Residues	2
Details	binding site for residue NA A 504

Chain	Residue
A	GLN97
A	LYS131

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site_id	AC5
Number of Residues	2
Details	binding site for residue GOL A 505

Chain	Residue
A	TYR75
A	GLN77

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site_id	AC6
Number of Residues	4
Details	binding site for residue GOL A 506

Chain	Residue
A	TYR95
A	GLY98
A	LYS345
A	TYR92

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site_id	AC7
Number of Residues	16
Details	binding site for residue C6U A 507

Chain	Residue
A	GLY35
A	GLN36
A	GLY37
A	LEU54
A	ASP56
A	GLY58
A	TYR95
A	PHE132
A	ILE134
A	ILE142
A	ASP252
A	SER253
A	GLY254
A	THR255
A	THR256
A	ALA359

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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	ILE53-VAL64

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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	ASP56
A	ASP252

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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	LYS89
A	LYS238
A	LYS242
A	LYS248
A	LYS262
A	LYS263
A	LYS270

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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	ASN116
A	ASN135
A	ASN186
A	ASN317

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