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4BVH

CRYSTAL STRUCTURE OF HUMAN SIRT3 IN COMPLEX WITH THE INHIBITOR EX-527 AND 2'-O-ACETYL-ADP-RIBOSE

Functional Information from GO Data
ChainGOidnamespacecontents
A0017136molecular_functionNAD-dependent histone deacetylase activity
A0051287molecular_functionNAD binding
A0070403molecular_functionNAD+ binding
B0017136molecular_functionNAD-dependent histone deacetylase activity
B0051287molecular_functionNAD binding
B0070403molecular_functionNAD+ binding
C0017136molecular_functionNAD-dependent histone deacetylase activity
C0051287molecular_functionNAD binding
C0070403molecular_functionNAD+ binding
Functional Information from PDB Data
site_idAC1
Number of Residues13
DetailsBINDING SITE FOR RESIDUE OCZ A 1393
ChainResidue
APRO155
APHE293
AOAD1394
AHOH2018
AHOH2019
APHE157
APHE180
AGLN228
AASN229
AILE230
AASP231
AHIS248
AILE291

site_idAC2
Number of Residues24
DetailsBINDING SITE FOR RESIDUE OAD A 1394
ChainResidue
AGLY145
AALA146
AGLY147
ATHR150
AASP156
APHE157
AARG158
ATYR165
APHE180
AGLN228
AHIS248
APHE294
AGLY319
ATHR320
ASER321
AVAL324
AASN344
AARG345
AGLY364
AASP365
AVAL366
AOCZ1393
AHOH2018
AHOH2105

site_idAC3
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ZN A 1395
ChainResidue
ACYS256
ACYS259
ACYS280
ACYS283

site_idAC4
Number of Residues3
DetailsBINDING SITE FOR RESIDUE NA A 1396
ChainResidue
AASP172
AHIS187
CHIS354

site_idAC5
Number of Residues2
DetailsBINDING SITE FOR RESIDUE CL A 1397
ChainResidue
AGLN138
ALEU222

site_idAC6
Number of Residues11
DetailsBINDING SITE FOR RESIDUE OCZ B 1392
ChainResidue
BPHE157
BPHE180
BGLN228
BASN229
BILE230
BASP231
BHIS248
BILE291
BAR61393
BHOH2010
BHOH2011

site_idAC7
Number of Residues23
DetailsBINDING SITE FOR RESIDUE AR6 B 1393
ChainResidue
BGLY145
BALA146
BGLY147
BTHR150
BASP156
BPHE157
BARG158
BTYR165
BGLN228
BHIS248
BPHE294
BGLY319
BTHR320
BSER321
BVAL324
BASN344
BARG345
BGLY364
BASP365
BVAL366
BOCZ1392
BHOH2010
BHOH2131

site_idAC8
Number of Residues5
DetailsBINDING SITE FOR RESIDUE EDO B 1394
ChainResidue
BPRO310
BALA312
BARG335
CLYS190
CTHR194

site_idAC9
Number of Residues5
DetailsBINDING SITE FOR RESIDUE EDO B 1395
ChainResidue
AASP127
ALEU131
BVAL236
BHOH2062
BHOH2082

site_idBC1
Number of Residues5
DetailsBINDING SITE FOR RESIDUE ZN B 1396
ChainResidue
BCYS256
BVAL258
BCYS259
BCYS280
BCYS283

site_idBC2
Number of Residues13
DetailsBINDING SITE FOR RESIDUE OCZ C 1394
ChainResidue
CGLN228
CASN229
CILE230
CASP231
CHIS248
CILE291
CVAL292
COAD1395
CHOH2018
CILE154
CPRO155
CPHE157
CPHE180

site_idBC3
Number of Residues26
DetailsBINDING SITE FOR RESIDUE OAD C 1395
ChainResidue
CGLY145
CALA146
CGLY147
CTHR150
CASP156
CPHE157
CARG158
CSER159
CTYR165
CGLN228
CHIS248
CVAL292
CPHE294
CGLY319
CTHR320
CSER321
CVAL324
CASN344
CARG345
CGLY364
CASP365
CVAL366
COCZ1394
CHOH2017
CHOH2143
CHOH2197

site_idBC4
Number of Residues4
DetailsBINDING SITE FOR RESIDUE EDO C 1396
ChainResidue
CLEU131
CARG358
CTHR391
CHOH2142

site_idBC5
Number of Residues5
DetailsBINDING SITE FOR RESIDUE GOL C 1397
ChainResidue
CASP267
CGLU382
CASP385
CHOH2193
CHOH2196

site_idBC6
Number of Residues6
DetailsBINDING SITE FOR RESIDUE EDO C 1398
ChainResidue
BTHR150
BGLY153
CGLN300
CARG301
CLEU304
CHOH2138

site_idBC7
Number of Residues2
DetailsBINDING SITE FOR RESIDUE EDO C 1399
ChainResidue
CLYS122
CASP359

site_idBC8
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ZN C 1400
ChainResidue
CCYS256
CCYS259
CCYS280
CCYS283

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues3
DetailsACT_SITE: Proton acceptor => ECO:0000255|PROSITE-ProRule:PRU00236, ECO:0000269|PubMed:12186850, ECO:0000269|PubMed:16788062, ECO:0000269|PubMed:18794531
ChainResidueDetails
AHIS248
BHIS248
CHIS248

site_idSWS_FT_FI2
Number of Residues12
DetailsBINDING: BINDING => ECO:0000269|PubMed:23897466
ChainResidueDetails
AASN344
BGLY145
BGLN228
BGLY319
BASN344
CGLY145
CGLN228
CGLY319
CASN344
AGLY145
AGLN228
AGLY319

site_idSWS_FT_FI3
Number of Residues12
DetailsBINDING: BINDING => ECO:0000269|PubMed:19535340, ECO:0000269|PubMed:23897466
ChainResidueDetails
ACYS256
ACYS259
ACYS280
ACYS283
BCYS256
BCYS259
BCYS280
BCYS283
CCYS256
CCYS259
CCYS280
CCYS283

site_idSWS_FT_FI4
Number of Residues3
DetailsMOD_RES: N6-succinyllysine => ECO:0000250|UniProtKB:Q8R104
ChainResidueDetails
ALYS122
BLYS122
CLYS122

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PDB entries from 2024-05-15

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