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1XN2

New substrate binding pockets for beta-secretase.

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
D0004190molecular_functionaspartic-type endopeptidase activity
D0006508biological_processproteolysis
D0016020cellular_componentmembrane
Functional Information from PDB Data
site_idAC1
Number of Residues30
DetailsBINDING SITE FOR CHAIN E OF OM03-4
ChainResidue
ASER10
AILE110
AASN111
AGLU125
AARG128
ATRP197
ATYR198
AASP228
AGLY230
ATHR231
ATHR232
AGLY11
AARG235
AGLU265
AARG307
ALYS321
AHOH404
AHOH520
AHOH549
AHOH554
CVAL312
EHOH14
AGLN12
EHOH15
AASP32
AGLY34
APRO70
ATYR71
ATHR72
AGLN73

site_idAC2
Number of Residues30
DetailsBINDING SITE FOR CHAIN F OF OM03-4
ChainResidue
BSER10
BGLY11
BGLN12
BLEU30
BASP32
BGLY34
BPRO70
BTYR71
BTHR72
BGLN73
BILE110
BGLU125
BARG128
BTRP197
BTYR198
BASP228
BGLY230
BTHR231
BTHR232
BARG235
BGLU265
BLEU267
BARG307
BLYS321
BHOH399
BHOH406
BHOH413
BHOH579
FHOH188
FHOH719

site_idAC3
Number of Residues26
DetailsBINDING SITE FOR CHAIN G OF OM03-4
ChainResidue
ALYS107
CGLY11
CGLN12
CASP32
CGLY34
CPRO70
CTYR71
CTHR72
CGLN73
CILE110
CGLU125
CARG128
CTRP197
CTYR198
CASP228
CGLY230
CTHR231
CTHR232
CARG235
CGLU265
CARG307
CLYS321
CHOH389
CHOH407
CHOH489
GHOH33

site_idAC4
Number of Residues32
DetailsBINDING SITE FOR CHAIN H OF OM03-4
ChainResidue
DARG128
DTRP197
DTYR198
DASP228
DGLY230
DTHR231
DTHR232
DASN233
DARG235
DGLU265
DLEU267
DARG307
DLYS321
DHOH431
DHOH446
DHOH510
HHOH43
HHOH513
HHOH580
DSER10
DGLY11
DGLN12
DLEU30
DASP32
DGLY34
DSER35
DPRO70
DTYR71
DTHR72
DGLN73
DILE110
DGLU125

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 Residues8
DetailsACT_SITE: ACT_SITE => ECO:0000255|PROSITE-ProRule:PRU10094
ChainResidueDetails
AASP32
AASP228
BASP32
BASP228
CASP32
CASP228
DASP32
DASP228

site_idSWS_FT_FI2
Number of Residues28
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
DLYS65
DLYS214
DLYS218
DLYS224
DLYS238
DLYS239
DLYS246
ALYS218
ALYS224
ALYS238
ALYS239
ALYS246
BLYS65
BLYS214

site_idSWS_FT_FI3
Number of Residues16
DetailsCARBOHYD: N-linked (GlcNAc...) asparagine => ECO:0000255
ChainResidueDetails
AASN92
CASN111
CASN162
CASN293
DASN92
DASN111
DASN162
DASN293
AASN111
AASN162
AASN293
BASN92
BASN111
BASN162
BASN293
CASN92

Catalytic Information from CSA
site_idCSA1
Number of Residues4
DetailsAnnotated By Reference To The Literature 1am5
ChainResidueDetails
ATHR231
AASP228
ASER35
AASP32

site_idCSA10
Number of Residues3
DetailsAnnotated By Reference To The Literature 1am5
ChainResidueDetails
BASP228
BSER35
BASP32

site_idCSA11
Number of Residues3
DetailsAnnotated By Reference To The Literature 1am5
ChainResidueDetails
CASP228
CSER35
CASP32

site_idCSA12
Number of Residues3
DetailsAnnotated By Reference To The Literature 1am5
ChainResidueDetails
DASP228
DSER35
DASP32

site_idCSA13
Number of Residues4
DetailsAnnotated By Reference To The Literature 1am5
ChainResidueDetails
AASP228
ASER35
ATYR71
AASP32

site_idCSA14
Number of Residues4
DetailsAnnotated By Reference To The Literature 1am5
ChainResidueDetails
BASP228
BSER35
BTYR71
BASP32

site_idCSA15
Number of Residues4
DetailsAnnotated By Reference To The Literature 1am5
ChainResidueDetails
CASP228
CSER35
CTYR71
CASP32

site_idCSA16
Number of Residues4
DetailsAnnotated By Reference To The Literature 1am5
ChainResidueDetails
DASP228
DSER35
DTYR71
DASP32

site_idCSA17
Number of Residues4
DetailsAnnotated By Reference To The Literature 1am5
ChainResidueDetails
ATHR231
AASP228
AASP32
ATHR33

site_idCSA18
Number of Residues4
DetailsAnnotated By Reference To The Literature 1am5
ChainResidueDetails
BTHR231
BASP228
BASP32
BTHR33

site_idCSA19
Number of Residues4
DetailsAnnotated By Reference To The Literature 1am5
ChainResidueDetails
CTHR231
CASP228
CASP32
CTHR33

site_idCSA2
Number of Residues4
DetailsAnnotated By Reference To The Literature 1am5
ChainResidueDetails
BTHR231
BASP228
BSER35
BASP32

site_idCSA20
Number of Residues4
DetailsAnnotated By Reference To The Literature 1am5
ChainResidueDetails
DTHR231
DASP228
DASP32
DTHR33

site_idCSA21
Number of Residues2
DetailsAnnotated By Reference To The Literature 1am5
ChainResidueDetails
AASP228
AASP32

site_idCSA22
Number of Residues2
DetailsAnnotated By Reference To The Literature 1am5
ChainResidueDetails
BASP228
BASP32

site_idCSA23
Number of Residues2
DetailsAnnotated By Reference To The Literature 1am5
ChainResidueDetails
CASP228
CASP32

site_idCSA24
Number of Residues2
DetailsAnnotated By Reference To The Literature 1am5
ChainResidueDetails
DASP228
DASP32

site_idCSA3
Number of Residues4
DetailsAnnotated By Reference To The Literature 1am5
ChainResidueDetails
CTHR231
CASP228
CSER35
CASP32

site_idCSA4
Number of Residues4
DetailsAnnotated By Reference To The Literature 1am5
ChainResidueDetails
DTHR231
DASP228
DSER35
DASP32

site_idCSA5
Number of Residues4
DetailsAnnotated By Reference To The Literature 1am5
ChainResidueDetails
AASP228
ASER229
AASP32
ATHR33

site_idCSA6
Number of Residues4
DetailsAnnotated By Reference To The Literature 1am5
ChainResidueDetails
BASP228
BSER229
BASP32
BTHR33

site_idCSA7
Number of Residues4
DetailsAnnotated By Reference To The Literature 1am5
ChainResidueDetails
CASP228
CSER229
CASP32
CTHR33

site_idCSA8
Number of Residues4
DetailsAnnotated By Reference To The Literature 1am5
ChainResidueDetails
DASP228
DSER229
DASP32
DTHR33

site_idCSA9
Number of Residues3
DetailsAnnotated By Reference To The Literature 1am5
ChainResidueDetails
AASP228
ASER35
AASP32

237735

PDB entries from 2025-06-18

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