Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

4L3O

Crystal Structure of SIRT2 in complex with the macrocyclic peptide S2iL5

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
B	0017136	molecular_function	histone deacetylase activity, NAD-dependent
B	0051287	molecular_function	NAD binding
B	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
D	0017136	molecular_function	histone deacetylase activity, NAD-dependent
D	0051287	molecular_function	NAD binding
D	0070403	molecular_function	NAD+ binding

Functional Information from PDB Data

site_id	AC1
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN A 501

Chain	Residue
A	CYS195
A	CYS200
A	CYS221
A	CYS224

site_id	AC2
Number of Residues	7
Details	BINDING SITE FOR RESIDUE MES A 502

Chain	Residue
A	GLN292
A	SER293
A	GLN265
A	GLU288
A	LYS289
A	ALA290
A	GLY291

site_id	AC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN B 501

Chain	Residue
B	CYS195
B	CYS200
B	CYS221
B	CYS224

site_id	AC4
Number of Residues	5
Details	BINDING SITE FOR RESIDUE MES B 502

Chain	Residue
B	GLU288
B	ALA290
B	GLY291
B	GLN292
B	SER293

site_id	AC5
Number of Residues	4
Details	BINDING SITE FOR RESIDUE EDO B 503

Chain	Residue
B	ARG78
B	GLY159
B	LEU161
D	HIS127

site_id	AC6
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN C 501

Chain	Residue
C	CYS195
C	CYS200
C	CYS221
C	CYS224

site_id	AC7
Number of Residues	6
Details	BINDING SITE FOR RESIDUE MES C 502

Chain	Residue
C	GLN265
C	GLU288
C	ALA290
C	GLY291
C	GLN292
C	SER293

site_id	AC8
Number of Residues	6
Details	BINDING SITE FOR RESIDUE EDO C 503

Chain	Residue
C	ARG77
C	ARG78
C	GLY159
C	LEU160
C	LEU161
C	LEU162

site_id	AC9
Number of Residues	5
Details	BINDING SITE FOR RESIDUE EDO C 504

Chain	Residue
C	LEU62
C	PHE309
C	ASP317
C	VAL318
C	ALA319

site_id	BC1
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN D 501

Chain	Residue
D	CYS195
D	CYS200
D	CYS221
D	CYS224

site_id	BC2
Number of Residues	6
Details	BINDING SITE FOR RESIDUE MES D 502

Chain	Residue
D	GLU288
D	LYS289
D	ALA290
D	GLY291
D	GLN292
D	SER293

site_id	BC3
Number of Residues	5
Details	BINDING SITE FOR RESIDUE EDO G 1101

Chain	Residue
G	ARG1010
G	ASN1012
G	HOH1205
H	CYS1015
H	NH21016

site_id	BC4
Number of Residues	46
Details	BINDING SITE FOR CHAIN E OF CYCLIC PEPTIDE S2IL5

Chain	Residue
E	HOH1115
E	HOH1116
E	HOH1117
F	ARG1010
F	ASN1012
F	TYR1014
F	CYS1015
A	GLU116
A	PHE119
A	GLU120
A	GLN167
A	HIS187
A	ILE232
A	VAL233
A	PHE234
A	PHE235
A	GLY236
A	GLU237
A	SER238
A	LEU239
A	PHE244
A	MET247
A	LEU264
A	GLN265
A	VAL266
A	GLN267
A	PRO268
A	SER271
A	SER293
A	ASP294
A	PHE296
A	LEU297
A	GLY298
A	MET299
A	HOH607
B	TYR114
B	GLU116
B	GLU120
B	SER122
B	LYS126
E	HOH1102
E	HOH1103
E	HOH1105
E	HOH1107
E	HOH1109
E	HOH1114

site_id	BC5
Number of Residues	50
Details	BINDING SITE FOR CHAIN F OF CYCLIC PEPTIDE S2IL5

Chain	Residue
A	TYR114
A	GLU116
A	GLU120
A	SER122
A	TYR123
A	LYS126
A	HIS127
A	HOH650
B	GLU116
B	PHE119
B	GLU120
B	ILE169
B	HIS187
B	ILE232
B	VAL233
B	PHE235
B	GLY236
B	GLU237
B	SER238
B	LEU239
B	PHE244
B	LEU264
B	GLN265
B	VAL266
B	GLN267
B	PRO268
B	SER271
B	SER293
B	ASP294
B	PHE296
B	LEU297
B	GLY298
B	MET299
B	MET301
B	HOH601
B	HOH697
B	HOH700
E	ARG1010
E	ASN1012
E	TYR1014
E	CYS1015
F	HOH1101
F	HOH1102
F	HOH1103
F	HOH1104
F	HOH1105
F	HOH1106
F	HOH1107
F	HOH1109
F	HOH1111

site_id	BC6
Number of Residues	48
Details	BINDING SITE FOR CHAIN G OF CYCLIC PEPTIDE S2IL5

Chain	Residue
B	SER249
C	GLU116
C	PHE119
C	GLU120
C	HIS187
C	ILE232
C	VAL233
C	PHE234
C	PHE235
C	GLY236
C	GLU237
C	SER238
C	LEU239
C	PHE244
C	MET247
C	LEU264
C	GLN265
C	VAL266
C	GLN267
C	PRO268
C	SER271
C	SER293
C	ASP294
C	PHE296
C	LEU297
C	GLY298
C	MET299
C	HOH605
C	HOH640
D	TYR114
D	GLU116
D	GLU120
D	SER122
D	LYS126
G	EDO1101
G	HOH1201
G	HOH1202
G	HOH1203
G	HOH1204
G	HOH1207
G	HOH1208
G	HOH1209
G	HOH1210
G	HOH1211
H	ARG1010
H	ASN1012
H	TYR1014
H	CYS1015

site_id	BC7
Number of Residues	44
Details	BINDING SITE FOR CHAIN H OF CYCLIC PEPTIDE S2IL5

Chain	Residue
A	SER249
C	TYR114
C	GLU120
C	SER122
C	LYS126
D	GLU116
D	GLU120
D	GLN167
D	ILE169
D	HIS187
D	ILE232
D	VAL233
D	PHE235
D	GLY236
D	GLU237
D	SER238
D	LEU239
D	PHE244
D	MET247
D	LEU264
D	GLN265
D	VAL266
D	GLN267
D	PRO268
D	SER271
D	SER293
D	ASP294
D	PHE296
D	LEU297
D	GLY298
D	MET299
D	MET301
D	HOH601
G	ARG1010
G	ASN1012
G	TYR1014
G	CYS1015
G	EDO1101
H	HOH1101
H	HOH1102
H	HOH1104
H	HOH1105
H	HOH1106
H	HOH1108

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	4
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	52
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	16
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	5
Details	Modified residue: {"description":"Phosphoserine","evidences":[{"source":"UniProtKB","id":"Q5RJQ4","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

		Sequence (fasta)
		PDBx/mmCIF
		PDBML format (no-atom)
		PDB format (full)
		Validation report (PDF)
		EDMap 2fo-fc (MTZ)