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6BFD

BACE crystal structure with hydroxy pyrrolidine inhibitor

Functional Information from GO Data
ChainGOidnamespacecontents
A0004190molecular_functionaspartic-type endopeptidase activity
A0006508biological_processproteolysis
A0016020cellular_componentmembrane
B0004190molecular_functionaspartic-type endopeptidase activity
B0006508biological_processproteolysis
B0016020cellular_componentmembrane
Functional Information from PDB Data
site_idAC1
Number of Residues18
Detailsbinding site for residue DJS A 401
ChainResidue
ASER10
APHE108
AILE110
AASP228
AGLY230
ATHR231
ATHR232
AASN233
AARG235
AHOH708
AGLN12
AGLY13
AASP32
AGLY34
ASER35
ATYR71
ATHR72
AGLN73

site_idAC2
Number of Residues8
Detailsbinding site for residue GOL A 402
ChainResidue
ASER58
ATHR59
AARG61
AARG96
AHOH583
AHOH635
BASP318
BHOH659

site_idAC3
Number of Residues6
Detailsbinding site for residue GOL A 403
ChainResidue
ATHR19
AVAL20
AGLY21
APRO24
ALEU84
ASER86

site_idAC4
Number of Residues17
Detailsbinding site for residue DJS B 401
ChainResidue
BSER10
BGLN12
BGLY13
BASP32
BGLY34
BSER35
BTYR71
BTHR72
BGLN73
BPHE108
BILE110
BASP228
BGLY230
BTHR231
BTHR232
BASN233
BARG235

site_idAC5
Number of Residues8
Detailsbinding site for residue GOL B 402
ChainResidue
AASP318
AHOH662
BSER58
BTHR59
BARG61
BARG96
BHOH511
BHOH661

site_idAC6
Number of Residues8
Detailsbinding site for residue GOL B 403
ChainResidue
BTHR19
BVAL20
BGLY21
BPRO24
BLEU84
BSER86
BHOH637
BHOH648

Functional Information from PROSITE/UniProt
site_idPS00141
Number of Residues12
DetailsASP_PROTEASE Eukaryotic and viral aspartyl proteases active site. ILVDTGSSNFAV
ChainResidueDetails
AILE29-VAL40

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues4
DetailsACT_SITE: ACT_SITE => ECO:0000255|PROSITE-ProRule:PRU10094
ChainResidueDetails
AASP32
AASP228
BASP32
BASP228

site_idSWS_FT_FI2
Number of Residues14
DetailsMOD_RES: N6-acetyllysine => ECO:0000269|PubMed:17425515, ECO:0000269|PubMed:19011241
ChainResidueDetails
ALYS65
BLYS218
BLYS224
BLYS238
BLYS239
BLYS246
ALYS214
ALYS218
ALYS224
ALYS238
ALYS239
ALYS246
BLYS65
BLYS214

site_idSWS_FT_FI3
Number of Residues8
DetailsCARBOHYD: N-linked (GlcNAc...) asparagine => ECO:0000255
ChainResidueDetails
AASN92
AASN111
AASN162
AASN293
BASN92
BASN111
BASN162
BASN293

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PDB entries from 2024-05-01

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