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2VNM

Human BACE-1 in complex with 3-(1,1-dioxidotetrahydro-2H-1,2-thiazin- 2-yl)-5-(ethylamino)-N-((1S,2R)-2-hydroxy-1-(phenylmethyl)-3-(((3-(trifluoromethyl)phenyl)methyl)amino)propyl)benzamide

Functional Information from GO Data
ChainGOidnamespacecontents
A0004190molecular_functionaspartic-type endopeptidase activity
A0006508biological_processproteolysis
A0016020cellular_componentmembrane
Functional Information from PDB Data
site_idAC1
Number of Residues20
DetailsBINDING SITE FOR RESIDUE CM8 A2000
ChainResidue
ALEU91
ATRP176
AILE179
AARG189
ATYR259
AASP289
AGLY291
ATHR292
ATHR293
AASN294
AARG296
AASP93
ASER386
AGLY95
ASER96
APRO131
ATYR132
ATHR133
AGLN134
APHE169

site_idAC2
Number of Residues16
DetailsBINDING SITE FOR RESIDUE CM8 A2001
ChainResidue
ASER83
ATHR155
AGLN204
AASN270
AGLY271
AASN339
AVAL343
AALA374
APHE426
AARG427
ATHR428
AALA430
AGLU432
AHOH2210
AHOH2316
AHOH2366

Functional Information from PROSITE/UniProt
site_idPS00141
Number of Residues12
DetailsASP_PROTEASE Eukaryotic and viral aspartyl proteases active site. ILVDTGSSNFAV
ChainResidueDetails
AILE90-VAL101

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues2
DetailsACT_SITE: ACT_SITE => ECO:0000255|PROSITE-ProRule:PRU10094
ChainResidueDetails
AASP93
AASP289

site_idSWS_FT_FI2
Number of Residues7
DetailsMOD_RES: N6-acetyllysine => ECO:0000269|PubMed:17425515, ECO:0000269|PubMed:19011241
ChainResidueDetails
ALYS126
ALYS275
ALYS279
ALYS285
ALYS299
ALYS300
ALYS307

site_idSWS_FT_FI3
Number of Residues4
DetailsCARBOHYD: N-linked (GlcNAc...) asparagine => ECO:0000255
ChainResidueDetails
AGLN153
AGLN172
AGLN223
AGLN354

Catalytic Information from CSA
site_idCSA1
Number of Residues4
DetailsAnnotated By Reference To The Literature 1am5
ChainResidueDetails
ATHR292
AASP289
ASER96
AASP93

site_idCSA2
Number of Residues4
DetailsAnnotated By Reference To The Literature 1am5
ChainResidueDetails
AASP289
ASER290
AASP93
ATHR94

site_idCSA3
Number of Residues3
DetailsAnnotated By Reference To The Literature 1am5
ChainResidueDetails
AASP289
ASER96
AASP93

site_idCSA4
Number of Residues4
DetailsAnnotated By Reference To The Literature 1am5
ChainResidueDetails
AASP289
ASER96
AASP93
ATYR132

site_idCSA5
Number of Residues4
DetailsAnnotated By Reference To The Literature 1am5
ChainResidueDetails
ATHR292
AASP289
AASP93
ATHR94

site_idCSA6
Number of Residues1
DetailsAnnotated By Reference To The Literature 1am5
ChainResidueDetails
AASP93

site_idCSA7
Number of Residues1
DetailsAnnotated By Reference To The Literature 1am5
ChainResidueDetails
AASP289

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PDB entries from 2024-10-30

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