5MAT

Structure of human Sirtuin 2 in complex with a selective thienopyrimidinone based inhibitor

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
C	0017136	molecular_function	histone deacetylase activity, NAD-dependent
C	0051287	molecular_function	NAD binding
C	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	CYS195
A	CYS200
A	CYS221
A	CYS224

---

site_id	AC2
Number of Residues	15
Details	binding site for residue 7KJ A 402

Chain	Residue
A	LEU138
A	TYR139
A	PHE143
A	ILE169
A	THR171
A	PHE190
A	VAL233
A	PHE235
A	HOH632
A	HOH646
A	ILE93
A	PRO94
A	PHE96
A	PHE119
A	ALA135

---

site_id	AC3
Number of Residues	9
Details	binding site for residue SO4 A 403

Chain	Residue
A	GLY84
A	ALA85
A	GLN167
A	THR262
A	SER263
A	VAL266
A	HOH508
A	HOH537
A	HOH586

---

site_id	AC4
Number of Residues	5
Details	binding site for residue SO4 A 404

Chain	Residue
A	ALA290
A	GLY291
A	GLN292
A	SER293
A	HOH574

---

site_id	AC5
Number of Residues	4
Details	binding site for residue SO4 A 405

Chain	Residue
A	PRO277
A	LEU278
A	SER279
A	HOH724

---

site_id	AC6
Number of Residues	3
Details	binding site for residue SO4 A 406

Chain	Residue
A	LYS158
A	TRP337
A	HOH653

---

site_id	AC7
Number of Residues	3
Details	binding site for residue SO4 A 407

Chain	Residue
A	GLN292
A	HOH546
A	HOH568

---

site_id	AC8
Number of Residues	3
Details	binding site for residue SO4 A 408

Chain	Residue
A	PRO240
A	ALA241
A	HOH668

---

site_id	AC9
Number of Residues	3
Details	binding site for residue SO4 A 409

Chain	Residue
A	ARG78
A	LYS253
A	HOH690

---

site_id	AD1
Number of Residues	7
Details	binding site for residue SO4 A 410

Chain	Residue
A	GLU333
A	GLY336
A	TRP337
A	LYS338
A	LYS339
A	HOH610
A	HOH669

---

site_id	AD2
Number of Residues	5
Details	binding site for residue PG4 A 411

Chain	Residue
A	LEU329
A	LYS338
A	GLU342
A	HOH511
A	HOH623

---

site_id	AD3
Number of Residues	4
Details	binding site for residue ZN C 401

Chain	Residue
C	CYS195
C	CYS200
C	CYS221
C	CYS224

---

site_id	AD4
Number of Residues	14
Details	binding site for residue P6G C 402

Chain	Residue
A	SER274
A	ALA276
A	GLY304
A	GLY305
C	ALA276
C	LEU278
C	GLY302
C	LEU303
C	GLY304
C	GLY305
C	TYR315
C	ARG316
C	HOH521
C	HOH532

---

site_id	AD5
Number of Residues	6
Details	binding site for residue SO4 C 403

Chain	Residue
C	ALA290
C	GLY291
C	GLN292
C	SER293
C	HOH537
C	HOH570

---

site_id	AD6
Number of Residues	7
Details	binding site for residue SO4 C 404

Chain	Residue
C	ALA332
C	GLU333
C	GLY336
C	TRP337
C	LYS338
C	LYS339
C	HOH556

---

site_id	AD7
Number of Residues	3
Details	binding site for residue SO4 C 405

Chain	Residue
C	LYS312
C	HOH575
C	HOH660

---

site_id	AD8
Number of Residues	3
Details	binding site for residue SO4 C 406

Chain	Residue
C	PRO240
C	ALA241
C	HOH602

---

site_id	AD9
Number of Residues	9
Details	binding site for residue SO4 C 407

Chain	Residue
C	THR262
C	SER263
C	LEU264
C	GLN265
C	VAL266
C	HOH501
C	HOH518
C	HOH526
C	ARG97

---

site_id	AE1
Number of Residues	3
Details	binding site for residue SO4 C 408

Chain	Residue
C	ARG78
C	LYS253
C	HOH614

---

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"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	26
Details	Binding site: {"evidences":[{"source":"PubMed","id":"25672491","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"4RMG","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	8
Details	Binding site: {"evidences":[{"source":"PROSITE-ProRule","id":"PRU00236","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"11427894","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"23454361","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"24389023","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"25672491","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"25704306","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"4R8M","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI4
Number of Residues	2
Details	Modified residue: {"description":"Phosphoserine","evidences":[{"source":"UniProtKB","id":"Q5RJQ4","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

---