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4D8C

Crystal Structure of Human Beta Secretase in Complex with NVP-BXD552, derived from a co-crystallization experiment

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 Residues24
DetailsBINDING SITE FOR RESIDUE BXD A 501
ChainResidue
AGLN12
ATHR72
AGLN73
APHE108
AILE110
AARG128
ATYR187
AASP217
AGLY219
ATHR220
ATHR221
AGLY13
AHOH617
AHOH647
AHOH705
AHOH719
AHOH733
ALEU30
AASP32
AGLY34
ASER35
AVAL69
APRO70
ATYR71

site_idAC2
Number of Residues22
DetailsBINDING SITE FOR RESIDUE BXD B 501
ChainResidue
BGLN12
BGLY13
BLEU30
BASP32
BGLY34
BSER35
BVAL69
BPRO70
BTYR71
BTHR72
BGLN73
BPHE108
BILE110
BTYR187
BASP217
BGLY219
BTHR220
BTHR221
BHOH646
BHOH679
BHOH704
BHOH754

site_idAC3
Number of Residues7
DetailsBINDING SITE FOR RESIDUE SO4 B 502
ChainResidue
BARG96
BALA97
BASN98
BGLU134
BSER139
BGLN143
BHOH664

site_idAC4
Number of Residues22
DetailsBINDING SITE FOR RESIDUE BXD C 401
ChainResidue
CGLN12
CGLY13
CLEU30
CASP32
CGLY34
CSER35
CVAL69
CPRO70
CTYR71
CTHR72
CGLN73
CPHE108
CILE110
CASP221
CGLY223
CTHR224
CTHR225
CHOH514
CHOH603
CHOH633
CHOH727
CHOH745

site_idAC5
Number of Residues3
DetailsBINDING SITE FOR RESIDUE SO4 C 402
ChainResidue
CGLU283
CARG342
CARG344

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
DetailsActive site: {"evidences":[{"source":"PROSITE-ProRule","id":"PRU10094","evidenceCode":"ECO:0000255"}]}
ChainResidueDetails

site_idSWS_FT_FI2
Number of Residues21
DetailsModified residue: {"description":"N6-acetyllysine","evidences":[{"source":"PubMed","id":"17425515","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"19011241","evidenceCode":"ECO:0000269"}]}
ChainResidueDetails

site_idSWS_FT_FI3
Number of Residues9
DetailsGlycosylation: {"description":"N-linked (GlcNAc...) asparagine","evidences":[{"evidenceCode":"ECO:0000255"}]}
ChainResidueDetails

242500

PDB entries from 2025-10-01

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