5H4D

Crystal structure of hSIRT3 in complex with a specific agonist Amiodarone hydrochloride

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
H	0017136	molecular_function	histone deacetylase activity, NAD-dependent
H	0051287	molecular_function	NAD binding
H	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	9
Details	binding site for residue BBI A 403

Chain	Residue
D	ARG1
D	HIS2
H	PRO326
H	SER329
A	PHE157
A	ARG158
A	GLU177
A	PHE294
A	VAL324

---

site_id	AC3
Number of Residues	17
Details	binding site for residue NAD A 404

Chain	Residue
A	GLY145
A	ALA146
A	GLY147
A	SER149
A	THR150
A	PHE157
A	ARG158
A	GLN228
A	ASN229
A	ILE230
A	ASP231
A	HIS248
A	GLY319
A	THR320
A	SER321
A	ASP365
A	VAL366

---

site_id	AC5
Number of Residues	7
Details	binding site for residue PEG H 401

Chain	Residue
H	ARG224
H	ALA241
H	SER242
H	LYS243
H	LEU244
H	VAL245
H	ARG301

---

site_id	AC6
Number of Residues	4
Details	binding site for residue ZN H 402

Chain	Residue
H	CYS256
H	CYS259
H	CYS280
H	CYS283

---

site_id	AC7
Number of Residues	8
Details	binding site for residue BBI H 405

Chain	Residue
A	PRO326
A	SER329
C	ARG1
H	ARG158
H	GLU177
H	PHE294
H	VAL324
H	NAD406

---

site_id	AC8
Number of Residues	18
Details	binding site for residue NAD H 406

Chain	Residue
H	GLY145
H	ALA146
H	GLY147
H	SER149
H	THR150
H	PRO151
H	ARG158
H	GLN228
H	ASN229
H	ILE230
H	ASP231
H	HIS248
H	THR320
H	SER321
H	ASN344
H	ASP365
H	VAL366
H	BBI405

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	2
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	54
Details	Binding site: {"evidences":[{"source":"PubMed","id":"23897466","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	6
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	2
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	2
Details	Modified residue: {"description":"N6-succinyllysine","evidences":[{"source":"UniProtKB","id":"Q8R104","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

---