4BV2

CRYSTAL STRUCTURE OF SIR2 IN COMPLEX WITH THE INHIBITOR EX-527, 2'-O-ACETYL-ADP-RIBOSE AND DEACETYLATED P53-PEPTIDE

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0003950	molecular_function	NAD+ poly-ADP-ribosyltransferase activity
A	0005737	cellular_component	cytoplasm
A	0008270	molecular_function	zinc ion binding
A	0016740	molecular_function	transferase activity
A	0034979	molecular_function	NAD-dependent protein lysine deacetylase activity
A	0046872	molecular_function	metal ion binding
A	0051287	molecular_function	NAD binding
A	0070403	molecular_function	NAD+ binding
B	0003950	molecular_function	NAD+ poly-ADP-ribosyltransferase activity
B	0005737	cellular_component	cytoplasm
B	0008270	molecular_function	zinc ion binding
B	0016740	molecular_function	transferase activity
B	0034979	molecular_function	NAD-dependent protein lysine deacetylase activity
B	0046872	molecular_function	metal ion binding
B	0051287	molecular_function	NAD binding
B	0070403	molecular_function	NAD+ binding

Functional Information from PDB Data

site_id	AC1
Number of Residues	5
Details	BINDING SITE FOR RESIDUE ZN A 1246

Chain	Residue
A	CYS124
A	CYS127
A	LYS129
A	CYS148
A	CYS151

---

site_id	AC2
Number of Residues	8
Details	BINDING SITE FOR RESIDUE OCZ A 1247

Chain	Residue
A	ASN99
A	ILE100
A	ILE159
A	OAD1248
A	SER25
A	ILE30
A	PRO31
A	PHE33

---

site_id	AC3
Number of Residues	21
Details	BINDING SITE FOR RESIDUE OAD A 1248

Chain	Residue
A	GLY21
A	ALA22
A	GLY23
A	THR26
A	PRO27
A	ASP32
A	PHE33
A	GLN98
A	HIS116
A	PHE162
A	GLY188
A	SER189
A	SER190
A	VAL193
A	ASN214
A	LEU215
A	MET230
A	ASP231
A	VAL232
A	OCZ1247
E	LYS3

---

site_id	AC4
Number of Residues	11
Details	BINDING SITE FOR RESIDUE OCZ B 1247

Chain	Residue
B	SER25
B	ILE30
B	PRO31
B	PHE33
B	MET71
B	GLN98
B	ASN99
B	ILE100
B	ASP101
B	ILE159
B	OAD1248

---

site_id	AC5
Number of Residues	22
Details	BINDING SITE FOR RESIDUE OAD B 1248

Chain	Residue
B	GLY21
B	ALA22
B	GLY23
B	THR26
B	PRO27
B	ASP32
B	PHE33
B	PHE48
B	GLN98
B	HIS116
B	VAL160
B	PHE162
B	SER189
B	SER190
B	VAL193
B	ASN214
B	LEU215
B	MET230
B	ASP231
B	VAL232
B	OCZ1247
H	LYS3

---

site_id	AC6
Number of Residues	5
Details	BINDING SITE FOR RESIDUE ZN B 1249

Chain	Residue
B	CYS124
B	CYS127
B	LYS129
B	CYS148
B	CYS151

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	2
Details	Active site: {"description":"Proton acceptor","evidences":[{"source":"PubMed","id":"16905097","evidenceCode":"ECO:0000305"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	22
Details	Binding site: {"evidences":[{"source":"PubMed","id":"16905097","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"2H4F","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	6
Details	Binding site: {"evidences":[{"source":"PubMed","id":"15780941","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1YC5","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI4
Number of Residues	8
Details	Binding site: {"evidences":[{"source":"PubMed","id":"15780941","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"16768447","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"16905097","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"18786399","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"19801667","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"21080423","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1YC5","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2H2D","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2H4F","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3D4B","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3JR3","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3PDH","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI5
Number of Residues	2
Details	Modified residue: {"description":"N6-acetyllysine","evidences":[{"source":"PubMed","id":"29474172","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"19608861","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI6
Number of Residues	2
Details	Modified residue: {"description":"N6-methyllysine; by KMT5A; alternate","evidences":[{"source":"PubMed","id":"17707234","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"20870725","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"22864287","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---