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3OHF

Crystal structure of beta-site app-cleaving enzyme 1 (BACE-WT) complex with bms-655295 aka n~3~-((1s,2r)-1- benzyl-2-hydroxy-3-((3-methoxybenzyl)amino)propyl)-n~1~, n~1~-dibutyl-1h-indole-1,3-dicarboxamide

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 3HF A 501
ChainResidue
AGLY59
ATHR120
AGLN121
APHE156
AASP276
AGLY278
ATHR279
ATHR280
AARG283
AHOH643
AGLY61
ALEU78
AASP80
AGLY82
ASER83
AVAL117
APRO118
ATYR119

site_idAC2
Number of Residues6
DetailsBINDING SITE FOR RESIDUE GOL A 503
ChainResidue
AASP366
AHOH873
BSER106
BTHR107
BARG109
BARG144

site_idAC3
Number of Residues17
DetailsBINDING SITE FOR RESIDUE 3HF B 501
ChainResidue
BGLY59
BGLY61
BLEU78
BASP80
BGLY82
BSER83
BPRO118
BTYR119
BTHR120
BGLN121
BPHE156
BASP276
BGLY278
BTHR279
BTHR280
BARG283
BHOH749

site_idAC4
Number of Residues8
DetailsBINDING SITE FOR RESIDUE GOL B 503
ChainResidue
ASER106
ATHR107
AARG109
AARG144
BASP366
BHOH816
BHOH837
BHOH957

Functional Information from PROSITE/UniProt
site_idPS00141
Number of Residues12
DetailsASP_PROTEASE Eukaryotic and viral aspartyl proteases active site. ILVDTGSSNFAV
ChainResidueDetails
AILE77-VAL88

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues4
DetailsACT_SITE: ACT_SITE => ECO:0000255|PROSITE-ProRule:PRU10094
ChainResidueDetails
AHIS93
APHE289
BHIS93
BPHE289

site_idSWS_FT_FI2
Number of Residues14
DetailsMOD_RES: N6-acetyllysine => ECO:0000269|PubMed:17425515, ECO:0000269|PubMed:19011241
ChainResidueDetails
AGLY126
AVAL275
ATHR279
APRO285
AALA299
ASER300
AASP307
BGLY126
BVAL275
BTHR279
BPRO285
BALA299
BSER300
BASP307

site_idSWS_FT_FI3
Number of Residues8
DetailsCARBOHYD: N-linked (GlcNAc...) asparagine => ECO:0000255
ChainResidueDetails
ASER153
AALA172
AILE223
ALEU354
BSER153
BALA172
BILE223
BLEU354

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PDB entries from 2024-06-12

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