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

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	26
Details	BINDING SITE FOR RESIDUE OAD B 1000

Chain	Residue
A	GLY145
A	GLN228
A	HIS248
A	VAL292
A	GLY319
A	THR320
A	SER321
A	VAL324
A	ASN344
A	ARG345
A	ASP346
A	ALA146
A	GLY364
A	ASP365
A	VAL366
A	PEG1408
A	HOH2007
A	HOH2019
B	LYS0
A	GLY147
A	THR150
A	ASP156
A	PHE157
A	ARG158
A	TYR165
A	PHE180

---

site_id	AC2
Number of Residues	5
Details	BINDING SITE FOR RESIDUE EDO A 1396

Chain	Residue
A	GLU181
A	VAL258
A	CYS259
A	GLN260
B	MET2

---

site_id	AC3
Number of Residues	5
Details	BINDING SITE FOR RESIDUE EDO A 1397

Chain	Residue
A	TYR200
A	PRO201
A	PHE251
A	GLY265
A	ARG269

---

site_id	AC4
Number of Residues	2
Details	BINDING SITE FOR RESIDUE EDO A 1398

Chain	Residue
A	HIS187
A	HIS187

---

site_id	AC5
Number of Residues	7
Details	BINDING SITE FOR RESIDUE EDO A 1399

Chain	Residue
A	ASN229
A	ILE230
A	GLY232
A	GLU246
A	GLY249
A	THR250
A	PHE251

---

site_id	AC6
Number of Residues	4
Details	BINDING SITE FOR RESIDUE GOL A 1400

Chain	Residue
A	LYS190
A	VAL277
A	ARG279
A	ARG384

---

site_id	AC7
Number of Residues	9
Details	BINDING SITE FOR RESIDUE GOL A 1401

Chain	Residue
A	ALA146
A	SER149
A	ILE154
A	PHE157
A	ASN229
A	ILE230
A	ASP231
A	HOH2019
A	HOH2053

---

site_id	AC8
Number of Residues	3
Details	BINDING SITE FOR RESIDUE GOL A 1402

Chain	Residue
A	LYS205
A	THR391
A	HOH2054

---

site_id	AC9
Number of Residues	4
Details	BINDING SITE FOR RESIDUE EDO A 1403

Chain	Residue
A	SER152
A	ASN203
A	TYR204
A	LYS205

---

site_id	BC1
Number of Residues	5
Details	BINDING SITE FOR RESIDUE EDO A 1404

Chain	Residue
A	GLN138
A	GLY220
A	LEU221
A	LEU222
A	LYS243

---

site_id	BC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 A 1405

Chain	Residue
A	ARG276
A	GLY364
A	ASP365
A	HIS368

---

site_id	BC3
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 A 1406

Chain	Residue
A	ARG224
A	SER242
A	ARG301

---

site_id	BC4
Number of Residues	4
Details	BINDING SITE FOR RESIDUE EDO A 1407

Chain	Residue
A	CYS283
A	ARG384
A	GLN388
A	HOH2056

---

site_id	BC5
Number of Residues	6
Details	BINDING SITE FOR RESIDUE PEG A 1408

Chain	Residue
A	ARG158
A	SER159
A	PRO160
A	ARG345
A	ASP346
B	XYQ1000

---

site_id	BC6
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN A 1409

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

---

site_id	SWS_FT_FI6
Number of Residues	1
Details	Modified residue: {"description":"N6-acetyllysine","evidences":[{"source":"PubMed","id":"16788062","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---