4BVB

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

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0017136	molecular_function	histone deacetylase activity, NAD-dependent
A	0051287	molecular_function	NAD binding
A	0070403	molecular_function	NAD+ binding

Functional Information from PDB Data

site_id	AC1
Number of Residues	9
Details	BINDING SITE FOR RESIDUE OCZ A 1395

Chain	Residue
A	PRO155
A	PHE157
A	PHE180
A	GLN228
A	ASN229
A	ILE230
A	ASP231
A	ILE291
A	HOH2014

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site_id	AC2
Number of Residues	23
Details	BINDING SITE FOR RESIDUE AR6 A 1396

Chain	Residue
A	GLY145
A	ALA146
A	GLY147
A	THR150
A	ASP156
A	PHE157
A	ARG158
A	GLN228
A	HIS248
A	PHE294
A	GLY319
A	THR320
A	SER321
A	VAL324
A	ASN344
A	ARG345
A	ASP346
A	GLY364
A	ASP365
A	VAL366
A	HOH2013
A	HOH2128
A	HOH2150

---

site_id	AC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN A 1397

Chain	Residue
A	CYS256
A	CYS259
A	CYS280
A	CYS283

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	1
Details	Active site: {"description":"Proton acceptor","evidences":[{"source":"PROSITE-ProRule","id":"PRU00236","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"12186850","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"16788062","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"18794531","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"36896611","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	27
Details	Binding site: {"evidences":[{"source":"PubMed","id":"23897466","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	3
Details	Binding site: {"evidences":[{"source":"PubMed","id":"19535340","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"23897466","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"36896611","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"37720100","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI4
Number of Residues	1
Details	Binding site: {"evidences":[{"source":"PubMed","id":"19535340","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"23897466","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"36896611","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI5
Number of Residues	1
Details	Modified residue: {"description":"N6-succinyllysine","evidences":[{"source":"UniProtKB","id":"Q8R104","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

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