4JT9

Crystal Structure of human SIRT3 with ELT inhibitor 3 [14-(4-{2-[(methylsulfonyl)amino]ethyl}piperidin-1-yl)thieno[3,2-d]pyrimidine-6-carboxamide]

Functional Information from GO Data

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

Functional Information from PDB Data

site_id	AC1
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN A 401

Chain	Residue
A	CYS256
A	CYS259
A	CYS280
A	CYS283

---

site_id	AC2
Number of Residues	14
Details	BINDING SITE FOR RESIDUE 1NS A 402

Chain	Residue
A	ILE230
A	ASP231
A	HIS248
A	VAL292
A	PHE294
A	GOL403
A	GOL404
A	HOH522
A	HOH614
A	ILE154
A	ASP156
A	PHE157
A	GLN228
A	ASN229

---

site_id	AC3
Number of Residues	5
Details	BINDING SITE FOR RESIDUE GOL A 403

Chain	Residue
A	PHE294
A	GLY295
A	GLU296
A	LEU298
A	1NS402

---

site_id	AC4
Number of Residues	5
Details	BINDING SITE FOR RESIDUE GOL A 404

Chain	Residue
A	GLY145
A	ALA146
A	GLN228
A	ASN229
A	1NS402

---

site_id	AC5
Number of Residues	6
Details	BINDING SITE FOR RESIDUE NA A 405

Chain	Residue
A	HIS187
A	HIS354
A	HOH611
A	HOH628
A	HOH629
A	HOH653

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	1
Details	ACT_SITE: Proton acceptor => ECO:0000255|PROSITE-ProRule:PRU00236, ECO:0000269|PubMed:12186850, ECO:0000269|PubMed:16788062, ECO:0000269|PubMed:18794531

Chain	Residue	Details
A	HIS248

---

site_id	SWS_FT_FI2
Number of Residues	4
Details	BINDING: BINDING => ECO:0000269|PubMed:23897466

Chain	Residue	Details
A	GLY145
A	GLN228
A	GLY319
A	ASN344

---

site_id	SWS_FT_FI3
Number of Residues	4
Details	BINDING: BINDING => ECO:0000269|PubMed:19535340, ECO:0000269|PubMed:23897466

Chain	Residue	Details
A	CYS256
A	CYS259
A	CYS280
A	CYS283

---

site_id	SWS_FT_FI4
Number of Residues	1
Details	MOD_RES: N6-succinyllysine => ECO:0000250|UniProtKB:Q8R104

Chain	Residue	Details
A	LYS122

---