3VV6

Crystal Structure of beta secetase in complex with 2-amino-3-methyl-6-((1S, 2R)-2-phenylcyclopropyl)pyrimidin-4(3H)-one

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	1
Details	BINDING SITE FOR RESIDUE IOD A 501

Chain	Residue
A	SER105

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site_id	AC2
Number of Residues	2
Details	BINDING SITE FOR RESIDUE IOD A 502

Chain	Residue
A	ARG349
A	HOH1203

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site_id	AC3
Number of Residues	1
Details	BINDING SITE FOR RESIDUE IOD A 503

Chain	Residue
A	LYS107

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

Chain	Residue
A	LYS238

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site_id	AC5
Number of Residues	1
Details	BINDING SITE FOR RESIDUE IOD A 505

Chain	Residue
A	ARG96

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site_id	AC6
Number of Residues	5
Details	BINDING SITE FOR RESIDUE GOL A 506

Chain	Residue
A	SER187
A	HOH1089
A	ARG50
A	TYR51
A	GLN53

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site_id	AC7
Number of Residues	10
Details	BINDING SITE FOR RESIDUE GOL A 507

Chain	Residue
A	SER10
A	GLY11
A	GLY13
A	TYR14
A	VAL170
A	THR231
A	THR232
A	ALA335
A	GLU339
A	HOH1166

---

site_id	AC8
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GOL A 508

Chain	Residue
A	LEU56
A	HIS181
A	TYR184
A	THR185
A	GLY186
A	HOH1149

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site_id	AC9
Number of Residues	5
Details	BINDING SITE FOR RESIDUE GOL A 509

Chain	Residue
A	GLY11
A	THR232
A	ASN233
A	ARG307
A	LYS321

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site_id	BC1
Number of Residues	7
Details	BINDING SITE FOR RESIDUE B00 A 510

Chain	Residue
A	ASP32
A	TYR71
A	PHE108
A	ILE118
A	ASP228
A	GLY230
A	THR231

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

Chain	Residue	Details
A	ASP32
A	ASP228

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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	LYS65
A	LYS214
A	LYS218
A	LYS224
A	LYS238
A	LYS239
A	LYS246

---

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

Chain	Residue	Details
A	ASN92
A	ASN111
A	ASN162
A	ASN293

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