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2VKM

Crystal structure of GRL-8234 bound to BACE (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 Residues22
DetailsBINDING SITE FOR RESIDUE BSD A1386
ChainResidue
AGLN12
AGLN73
APHE108
ATRP115
AILE126
AASP228
ASER229
AGLY230
ATHR231
ATHR232
AASN233
AGLY13
AARG235
ASER325
AALA335
ALEU30
AASP32
AGLY34
ASER35
APRO70
ATYR71
ATHR72

site_idAC2
Number of Residues22
DetailsBINDING SITE FOR RESIDUE BSD B1386
ChainResidue
BGLN12
BGLY13
BLEU30
BASP32
BGLY34
BSER35
BVAL69
BTYR71
BTHR72
BGLN73
BPHE108
BTRP115
BASP228
BSER229
BGLY230
BTHR231
BTHR232
BASN233
BARG235
BSER325
BALA335
BHOH2008

site_idAC3
Number of Residues26
DetailsBINDING SITE FOR RESIDUE BSD C1386
ChainResidue
CGLY11
CGLN12
CGLY13
CASP32
CGLY34
CSER35
CVAL69
CPRO70
CTYR71
CTHR72
CGLN73
CPHE108
CILE110
CTRP115
CILE118
CASP228
CSER229
CGLY230
CTHR231
CTHR232
CASN233
CARG235
CARG307
CSER325
CALA335
CHOH2225

site_idAC4
Number of Residues28
DetailsBINDING SITE FOR RESIDUE BSD D1386
ChainResidue
DGLY11
DGLN12
DGLY13
DLEU30
DASP32
DGLY34
DSER35
DVAL69
DPRO70
DTYR71
DTHR72
DGLN73
DPHE108
DILE110
DTRP115
DASP228
DSER229
DGLY230
DTHR231
DTHR232
DASN233
DARG235
DARG307
DSER325
DALA335
DHOH2117
DHOH2159
DHOH2180

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 Residues1
DetailsAnnotated By Reference To The Literature 1am5
ChainResidueDetails
AASP32

site_idCSA22
Number of Residues1
DetailsAnnotated By Reference To The Literature 1am5
ChainResidueDetails
BASP32

site_idCSA23
Number of Residues1
DetailsAnnotated By Reference To The Literature 1am5
ChainResidueDetails
CASP32

site_idCSA24
Number of Residues1
DetailsAnnotated By Reference To The Literature 1am5
ChainResidueDetails
DASP32

site_idCSA25
Number of Residues1
DetailsAnnotated By Reference To The Literature 1am5
ChainResidueDetails
AASP228

site_idCSA26
Number of Residues1
DetailsAnnotated By Reference To The Literature 1am5
ChainResidueDetails
BASP228

site_idCSA27
Number of Residues1
DetailsAnnotated By Reference To The Literature 1am5
ChainResidueDetails
CASP228

site_idCSA28
Number of Residues1
DetailsAnnotated By Reference To The Literature 1am5
ChainResidueDetails
DASP228

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

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PDB entries from 2024-07-24

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