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4BVG

CRYSTAL STRUCTURE OF HUMAN SIRT3 IN COMPLEX WITH NATIVE ALKYLIMIDATE FORMED FROM ACETYL-LYSINE ACS2-PEPTIDE CRYSTALLIZED IN PRESENCE OF THE INHIBITOR EX-527

Functional Information from GO Data
ChainGOidnamespacecontents
A0017136molecular_functionNAD-dependent histone deacetylase activity
A0051287molecular_functionNAD binding
A0070403molecular_functionNAD+ binding
Functional Information from PDB Data
site_idAC1
Number of Residues26
DetailsBINDING SITE FOR RESIDUE OAD B 1000
ChainResidue
AGLY145
AGLN228
AHIS248
AVAL292
AGLY319
ATHR320
ASER321
AVAL324
AASN344
AARG345
AASP346
AALA146
AGLY364
AASP365
AVAL366
APEG1408
AHOH2007
AHOH2019
BLYS0
AGLY147
ATHR150
AASP156
APHE157
AARG158
ATYR165
APHE180

site_idAC2
Number of Residues5
DetailsBINDING SITE FOR RESIDUE EDO A 1396
ChainResidue
AGLU181
AVAL258
ACYS259
AGLN260
BMET2

site_idAC3
Number of Residues5
DetailsBINDING SITE FOR RESIDUE EDO A 1397
ChainResidue
ATYR200
APRO201
APHE251
AGLY265
AARG269

site_idAC4
Number of Residues2
DetailsBINDING SITE FOR RESIDUE EDO A 1398
ChainResidue
AHIS187
AHIS187

site_idAC5
Number of Residues7
DetailsBINDING SITE FOR RESIDUE EDO A 1399
ChainResidue
AASN229
AILE230
AGLY232
AGLU246
AGLY249
ATHR250
APHE251

site_idAC6
Number of Residues4
DetailsBINDING SITE FOR RESIDUE GOL A 1400
ChainResidue
ALYS190
AVAL277
AARG279
AARG384

site_idAC7
Number of Residues9
DetailsBINDING SITE FOR RESIDUE GOL A 1401
ChainResidue
AALA146
ASER149
AILE154
APHE157
AASN229
AILE230
AASP231
AHOH2019
AHOH2053

site_idAC8
Number of Residues3
DetailsBINDING SITE FOR RESIDUE GOL A 1402
ChainResidue
ALYS205
ATHR391
AHOH2054

site_idAC9
Number of Residues4
DetailsBINDING SITE FOR RESIDUE EDO A 1403
ChainResidue
ASER152
AASN203
ATYR204
ALYS205

site_idBC1
Number of Residues5
DetailsBINDING SITE FOR RESIDUE EDO A 1404
ChainResidue
AGLN138
AGLY220
ALEU221
ALEU222
ALYS243

site_idBC2
Number of Residues4
DetailsBINDING SITE FOR RESIDUE SO4 A 1405
ChainResidue
AARG276
AGLY364
AASP365
AHIS368

site_idBC3
Number of Residues3
DetailsBINDING SITE FOR RESIDUE SO4 A 1406
ChainResidue
AARG224
ASER242
AARG301

site_idBC4
Number of Residues4
DetailsBINDING SITE FOR RESIDUE EDO A 1407
ChainResidue
ACYS283
AARG384
AGLN388
AHOH2056

site_idBC5
Number of Residues6
DetailsBINDING SITE FOR RESIDUE PEG A 1408
ChainResidue
AARG158
ASER159
APRO160
AARG345
AASP346
BXYQ1000

site_idBC6
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ZN A 1409
ChainResidue
ACYS256
ACYS259
ACYS280
ACYS283

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues1
DetailsMOD_RES: N6-acetyllysine => ECO:0000269|PubMed:16788062
ChainResidueDetails
BLYS0

site_idSWS_FT_FI2
Number of Residues4
DetailsBINDING: BINDING => ECO:0000269|PubMed:23897466
ChainResidueDetails
AGLN228
AGLY319
AASN344
AGLY145

site_idSWS_FT_FI3
Number of Residues4
DetailsBINDING: BINDING => ECO:0000269|PubMed:19535340, ECO:0000269|PubMed:23897466
ChainResidueDetails
ACYS256
ACYS259
ACYS280
ACYS283

site_idSWS_FT_FI4
Number of Residues1
DetailsMOD_RES: N6-succinyllysine => ECO:0000250|UniProtKB:Q8R104
ChainResidueDetails
ALYS122

220472

PDB entries from 2024-05-29

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