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4KE0

Crystal structure of BACE1 in complex with hydroxyethylamine-macrocyclic inhibitor 13

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 Residues11
DetailsBINDING SITE FOR RESIDUE 1R8 A 501
ChainResidue
AASP32
ATHR329
AHOH660
AGLY34
APRO70
ATYR71
ATHR72
APHE108
AILE110
AASP228
AGLY230

site_idAC2
Number of Residues3
DetailsBINDING SITE FOR RESIDUE GOL A 502
ChainResidue
AARG50
ATYR51
AGLN53

site_idAC3
Number of Residues5
DetailsBINDING SITE FOR RESIDUE SO4 A 503
ChainResidue
AARG235
AGLN326
ASER327
ASER328
ATHR329

site_idAC4
Number of Residues14
DetailsBINDING SITE FOR RESIDUE 1R8 B 501
ChainResidue
BLEU30
BASP32
BGLY34
BSER35
BPRO70
BTYR71
BTHR72
BPHE108
BILE110
BASP228
BGLY230
BARG235
BTHR329
BHOH620

site_idAC5
Number of Residues4
DetailsBINDING SITE FOR RESIDUE GOL B 502
ChainResidue
BTHR292
BASP378
BHOH629
BHOH753

site_idAC6
Number of Residues12
DetailsBINDING SITE FOR RESIDUE 1R8 C 501
ChainResidue
CASP32
CGLY34
CPRO70
CTYR71
CTHR72
CPHE108
CTRP115
CASP228
CGLY230
CTHR329
CVAL332
CHOH699

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
BLYS218
BLYS224
BLYS238
BLYS239
BLYS246
CLYS65
CLYS214
CLYS218
CLYS224
CLYS238
ALYS214
CLYS239
CLYS246
ALYS218
ALYS224
ALYS238
ALYS239
ALYS246
BLYS65
BLYS214

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

224004

PDB entries from 2024-08-21

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