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3UQR

Crystal structure of BACE1 with its 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
C0004190molecular_functionaspartic-type endopeptidase activity
C0006508biological_processproteolysis
C0016020cellular_componentmembrane
Functional Information from PDB Data
site_idAC1
Number of Residues29
DetailsBINDING SITE FOR CHAIN D OF 7-MER PEPTIDE INHIBITOR
ChainResidue
AGLY11
AGLN73
APHE108
ATRP115
AILE118
AILE126
AARG128
ATRP197
ATYR198
ALYS224
AASP228
AGLN12
ASER229
AGLY230
ATHR231
ATHR232
AASN233
AARG235
ASER325
ATHR329
AALA335
BASP4
AGLY13
ALEU30
AASP32
AGLY34
APRO70
ATYR71
ATHR72

site_idAC2
Number of Residues28
DetailsBINDING SITE FOR CHAIN E OF 7-MER PEPTIDE INHIBITOR
ChainResidue
BGLY13
BLEU30
BASP32
BGLY34
BSER35
BPRO70
BTYR71
BTHR72
BGLN73
BPHE108
BTRP115
BILE118
BILE126
BTRP197
BTYR198
BLYS224
BASP228
BSER229
BGLY230
BTHR231
BTHR232
BASN233
BARG235
BSER325
CGLU77
CGLU104
CSER105
CASP106

site_idAC3
Number of Residues27
DetailsBINDING SITE FOR CHAIN F OF 7-MER PEPTIDE INHIBITOR
ChainResidue
BGLU77
BGLU104
CGLY11
CGLN12
CGLY13
CLEU30
CASP32
CGLY34
CSER35
CPRO70
CTYR71
CTHR72
CGLN73
CPHE108
CILE110
CILE126
CTYR198
CLYS224
CASP228
CSER229
CGLY230
CTHR231
CTHR232
CASN233
CARG235
CSER325
CALA335

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 Residues6
DetailsACT_SITE: ACT_SITE => ECO:0000255|PROSITE-ProRule:PRU10094
ChainResidueDetails
AASP32
AASP228
BASP32
BASP228
CASP32
CASP228

site_idSWS_FT_FI2
Number of Residues21
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
CLYS65
CLYS214
CLYS218
CLYS224
CLYS238
CLYS239
CLYS246

site_idSWS_FT_FI3
Number of Residues12
DetailsCARBOHYD: N-linked (GlcNAc...) asparagine => ECO:0000255
ChainResidueDetails
AASN92
AASN111
AASN162
AASN293
BASN92
BASN111
BASN162
BASN293
CASN92
CASN111
CASN162
CASN293

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PDB entries from 2024-06-12

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