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6UVV

BACE-1 in complex with compound #17

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 Residues9
Detailsbinding site for residue QJV A 401
ChainResidue
ASER10
AGLY13
ALEU30
AASP32
ATYR71
AASP228
AGLY230
AHOH542
AHOH637

site_idAC2
Number of Residues7
Detailsbinding site for residue GOL A 402
ChainResidue
AARG96
AASN98
AGLU134
AGLN143
AHOH704
AHOH710
AHOH853

site_idAC3
Number of Residues4
Detailsbinding site for residue GOL A 403
ChainResidue
AARG50
ATYR51
AGLN53
AHOH773

site_idAC4
Number of Residues9
Detailsbinding site for residue SO4 A 404
ChainResidue
ALYS9
AGLY11
AGLN12
AARG307
AVAL309
ALYS321
AHOH538
AHOH614
AHOH705

site_idAC5
Number of Residues10
Detailsbinding site for residue QJV B 401
ChainResidue
BSER10
BGLY13
BLEU30
BASP32
BGLN73
BASP228
BSER229
BGLY230
BHOH524
BHOH866

site_idAC6
Number of Residues8
Detailsbinding site for residue GOL B 402
ChainResidue
AASP318
AHOH712
BSER58
BTHR59
BARG61
BARG96
BHOH582
BHOH595

site_idAC7
Number of Residues8
Detailsbinding site for residue GOL B 403
ChainResidue
ASER58
ATHR59
AARG61
AARG96
BASP318
BHOH576
BHOH606
BHOH673

site_idAC8
Number of Residues6
Detailsbinding site for residue GOL B 404
ChainResidue
BTHR82
BARG96
BGLU134
BHOH649
BHOH674
BHOH879

site_idAC9
Number of Residues6
Detailsbinding site for residue GOL B 405
ChainResidue
BARG50
BTYR51
BGLN53
BHOH509
BHOH793
BHOH891

site_idAD1
Number of Residues7
Detailsbinding site for residue SO4 B 406
ChainResidue
ALYS239
BHIS45
BASP106
BLYS107
BHOH519
BHOH586
BHOH837

site_idAD2
Number of Residues8
Detailsbinding site for residue SO4 B 407
ChainResidue
BLYS9
BGLY11
BGLN12
BARG307
BLYS321
BHOH611
BHOH723
BHOH819

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
ALYS214
ALYS218
ALYS224
ALYS238
ALYS239
ALYS246
BLYS65
BLYS214
BLYS218
BLYS224
BLYS238
BLYS239
BLYS246

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 2024-06-12

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