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5YQL

Crystal structure of Sirt2 in complex with selective inhibitor A2I

Functional Information from GO Data
ChainGOidnamespacecontents
A0017136molecular_functionhistone deacetylase activity, NAD-dependent
A0051287molecular_functionNAD binding
A0070403molecular_functionNAD+ binding
Functional Information from PDB Data
site_idAC1
Number of Residues15
Detailsbinding site for residue A2I A 1001
ChainResidue
APHE96
APHE190
ALEU206
AILE232
AVAL233
APHE234
AHOH1322
APHE119
APHE131
AALA135
ALEU138
ATYR139
APRO140
APHE143
AASP170

site_idAC2
Number of Residues4
Detailsbinding site for residue ZN A 1002
ChainResidue
ACYS195
ACYS200
ACYS221
ACYS224

site_idAC3
Number of Residues5
Detailsbinding site for residue BME A 1003
ChainResidue
ATRP320
ALEU321
AHOH1237
AHOH1336
AHOH1472

site_idAC4
Number of Residues6
Detailsbinding site for residue BME A 1004
ChainResidue
AGLY84
AALA85
AGLN167
ATHR262
ASER263
AHOH1288

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues1
DetailsActive site: {"description":"Proton acceptor","evidences":[{"source":"PROSITE-ProRule","id":"PRU00236","evidenceCode":"ECO:0000255"}]}
ChainResidueDetails

site_idSWS_FT_FI2
Number of Residues13
DetailsBinding site: {"evidences":[{"source":"PubMed","id":"25672491","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"4RMG","evidenceCode":"ECO:0007744"}]}
ChainResidueDetails

site_idSWS_FT_FI3
Number of Residues4
DetailsBinding site: {"evidences":[{"source":"PROSITE-ProRule","id":"PRU00236","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"11427894","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"23454361","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"24389023","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"25672491","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"25704306","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"4R8M","evidenceCode":"ECO:0007744"}]}
ChainResidueDetails

site_idSWS_FT_FI4
Number of Residues3
DetailsModified residue: {"description":"Phosphoserine","evidences":[{"source":"UniProtKB","id":"Q5RJQ4","evidenceCode":"ECO:0000250"}]}
ChainResidueDetails

239803

PDB entries from 2025-08-06

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