4BV3

CRYSTAL STRUCTURE OF SIRT3 IN COMPLEX WITH THE INHIBITOR EX-527 AND NAD

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	27
Details	BINDING SITE FOR RESIDUE NAD A 1392

Chain	Residue
A	GLY145
A	HIS248
A	VAL292
A	PHE294
A	GLY319
A	THR320
A	SER321
A	VAL324
A	ASN344
A	ARG345
A	GLY364
A	ALA146
A	ASP365
A	VAL366
A	GOL1397
A	HOH2010
A	HOH2016
A	HOH2052
A	HOH2102
A	HOH2123
A	GLY147
A	THR150
A	ASP156
A	PHE157
A	ARG158
A	TYR165
A	PHE180

---

site_id	AC2
Number of Residues	22
Details	BINDING SITE FOR RESIDUE APR A 1393

Chain	Residue
A	GLY145
A	ALA146
A	GLY147
A	THR150
A	ASP156
A	PHE157
A	ARG158
A	HIS248
A	PHE294
A	GLY319
A	THR320
A	SER321
A	VAL324
A	ASN344
A	ARG345
A	GLY364
A	ASP365
A	VAL366
A	HOH2010
A	HOH2016
A	HOH2051
A	HOH2102

---

site_id	AC3
Number of Residues	10
Details	BINDING SITE FOR RESIDUE OCZ A 1394

Chain	Residue
A	PRO155
A	PHE157
A	PHE180
A	GLN228
A	ASN229
A	ILE230
A	ASP231
A	ILE291
A	VAL292
A	HOH2011

---

site_id	AC4
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN A 1395

Chain	Residue
A	CYS256
A	CYS259
A	CYS280
A	CYS283

---

site_id	AC5
Number of Residues	7
Details	BINDING SITE FOR RESIDUE NO3 A 1396

Chain	Residue
A	HIS248
A	LEU298
A	VAL324
A	GLU325
A	PRO326
A	PHE327
A	GOL1397

---

site_id	AC6
Number of Residues	12
Details	BINDING SITE FOR RESIDUE GOL A 1397

Chain	Residue
A	HIS248
A	VAL292
A	PHE294
A	GLY295
A	GLU296
A	LEU298
A	NAD1392
A	NO31396
A	GOL1398
A	HOH2093
A	HOH2123
A	HOH2124

---

site_id	AC7
Number of Residues	7
Details	BINDING SITE FOR RESIDUE GOL A 1398

Chain	Residue
A	ASN207
A	GLY295
A	PRO326
A	GOL1397
A	HOH2014
A	HOH2044
A	HOH2093

---

site_id	AC8
Number of Residues	3
Details	BINDING SITE FOR RESIDUE NA A 1399

Chain	Residue
A	GLU325
A	SER329
A	PRO350

---

site_id	AC9
Number of Residues	3
Details	BINDING SITE FOR RESIDUE CL A 1400

Chain	Residue
A	GLY349
A	PRO350
A	TRP353

---

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

---