Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

6XVG

Human Sirt6 3-318 in complex with ADP-ribose and the activator MDL-801

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0070403	molecular_function	NAD+ binding
B	0070403	molecular_function	NAD+ binding
C	0070403	molecular_function	NAD+ binding
D	0070403	molecular_function	NAD+ binding
E	0070403	molecular_function	NAD+ binding
F	0070403	molecular_function	NAD+ binding

Functional Information from PDB Data

site_id	AC1
Number of Residues	22
Details	binding site for residue AR6 A 401

Chain	Residue
A	GLY52
A	GLY214
A	THR215
A	SER216
A	ILE219
A	ASN240
A	LEU241
A	GLN242
A	GLY256
A	TYR257
A	VAL258
A	ALA53
A	8L9404
A	HOH504
B	ASP83
A	GLY54
A	THR57
A	ASP63
A	PHE64
A	ARG65
A	GLN113
A	HIS133

site_id	AC2
Number of Residues	4
Details	binding site for residue ZN A 402

Chain	Residue
A	CYS141
A	CYS144
A	CYS166
A	CYS177

site_id	AC3
Number of Residues	3
Details	binding site for residue GOL A 403

Chain	Residue
A	THR84
A	THR85
A	PHE86

site_id	AC4
Number of Residues	10
Details	binding site for residue 8L9 A 404

Chain	Residue
A	PRO62
A	PHE64
A	VAL70
A	TRP71
A	PRO80
A	PHE82
A	VAL115
A	MET157
A	TRP188
A	AR6401

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

Chain	Residue
A	ASP25
A	LYS33
A	ARG253
A	HIS255

site_id	AC6
Number of Residues	22
Details	binding site for residue AR6 B 401

Chain	Residue
A	ASP83
B	GLY52
B	ALA53
B	GLY54
B	THR57
B	ASP63
B	PHE64
B	ARG65
B	GLN113
B	HIS133
B	GLY214
B	THR215
B	SER216
B	ILE219
B	ASN240
B	LEU241
B	GLN242
B	GLY256
B	TYR257
B	VAL258
B	8L9404
B	HOH528

site_id	AC7
Number of Residues	4
Details	binding site for residue ZN B 402

Chain	Residue
B	CYS141
B	CYS144
B	CYS166
B	CYS177

site_id	AC8
Number of Residues	4
Details	binding site for residue GOL B 403

Chain	Residue
B	PHE82
B	THR85
B	PHE86
B	GLU87

site_id	AC9
Number of Residues	9
Details	binding site for residue 8L9 B 404

Chain	Residue
B	PRO62
B	PHE64
B	VAL70
B	TRP71
B	PHE82
B	VAL115
B	MET157
B	TRP188
B	AR6401

site_id	AD1
Number of Residues	3
Details	binding site for residue SO4 B 405

Chain	Residue
B	LYS33
B	ARG253
B	HIS255

site_id	AD2
Number of Residues	6
Details	binding site for residue SO4 B 406

Chain	Residue
A	ARG90
A	ALA275
A	TRP276
B	ARG90
B	ALA275
B	TRP276

site_id	AD3
Number of Residues	1
Details	binding site for residue SO4 B 407

Chain	Residue
B	ARG108

site_id	AD4
Number of Residues	1
Details	binding site for residue SO4 B 408

Chain	Residue
B	ARG108

site_id	AD5
Number of Residues	3
Details	binding site for residue SO4 B 409

Chain	Residue
B	ARG220
B	PRO221
B	ASN224

site_id	AD6
Number of Residues	2
Details	binding site for residue GOL C 1001

Chain	Residue
C	LEU227
C	LYS245

site_id	AD7
Number of Residues	23
Details	binding site for residue AR6 C 1002

Chain	Residue
C	ALA53
C	GLY54
C	THR57
C	ASP63
C	PHE64
C	ARG65
C	TRP71
C	GLN113
C	HIS133
C	GLY214
C	THR215
C	SER216
C	ILE219
C	ASN240
C	LEU241
C	GLN242
C	GLY256
C	TYR257
C	VAL258
C	HOH1104
C	HOH1136
E	ASP83
C	GLY52

site_id	AD8
Number of Residues	4
Details	binding site for residue ZN C 1003

Chain	Residue
C	CYS141
C	CYS144
C	CYS166
C	CYS177

site_id	AD9
Number of Residues	5
Details	binding site for residue GOL C 1004

Chain	Residue
C	THR85
C	PHE86
C	GLU87
C	VAL153
E	GOL701

site_id	AE1
Number of Residues	1
Details	binding site for residue GOL C 1005

Chain	Residue
C	ARG103

site_id	AE2
Number of Residues	9
Details	binding site for residue 8L9 C 1006

Chain	Residue
C	ILE61
C	PRO62
C	PHE64
C	VAL70
C	GLU74
C	PHE82
C	VAL115
C	MET157
C	ASP187

site_id	AE3
Number of Residues	3
Details	binding site for residue SO4 C 1007

Chain	Residue
C	PRO193
C	ASP194
C	ARG195

site_id	AE4
Number of Residues	23
Details	binding site for residue AR6 D 401

Chain	Residue
D	GLY52
D	ALA53
D	GLY54
D	THR57
D	ASP63
D	PHE64
D	ARG65
D	GLN113
D	HIS133
D	GLY214
D	THR215
D	SER216
D	ILE219
D	ASN240
D	LEU241
D	GLN242
D	GLY256
D	TYR257
D	VAL258
D	GOL403
D	8L9404
D	HOH526
F	ASP83

site_id	AE5
Number of Residues	4
Details	binding site for residue ZN D 402

Chain	Residue
D	CYS141
D	CYS144
D	CYS166
D	CYS177

site_id	AE6
Number of Residues	6
Details	binding site for residue GOL D 403

Chain	Residue
D	HIS133
D	LEU186
D	ASP187
D	TRP188
D	AR6401
D	8L9404

site_id	AE7
Number of Residues	10
Details	binding site for residue 8L9 D 404

Chain	Residue
D	PRO62
D	VAL70
D	TRP71
D	PRO80
D	PHE82
D	VAL115
D	MET157
D	ILE185
D	AR6401
D	GOL403

site_id	AE8
Number of Residues	6
Details	binding site for residue SO4 D 405

Chain	Residue
D	ARG90
D	ALA275
D	TRP276
F	ARG90
F	ALA275
F	TRP276

site_id	AE9
Number of Residues	3
Details	binding site for residue SO4 D 406

Chain	Residue
C	GLU189
D	LYS33
D	ARG253

site_id	AF1
Number of Residues	2
Details	binding site for residue SO4 D 407

Chain	Residue
D	HIS68
F	HIS68

site_id	AF2
Number of Residues	4
Details	binding site for residue GOL E 701

Chain	Residue
C	PHE82
C	GOL1004
E	TYR257
E	HOH808

site_id	AF3
Number of Residues	23
Details	binding site for residue AR6 E 702

Chain	Residue
C	ASP83
E	GLY52
E	ALA53
E	GLY54
E	THR57
E	ASP63
E	PHE64
E	ARG65
E	TRP71
E	GLN113
E	HIS133
E	GLY214
E	THR215
E	SER216
E	ILE219
E	ASN240
E	LEU241
E	GLN242
E	GLY256
E	TYR257
E	VAL258
E	HOH801
E	HOH825

site_id	AF4
Number of Residues	4
Details	binding site for residue ZN E 703

Chain	Residue
E	CYS141
E	CYS144
E	CYS166
E	CYS177

site_id	AF5
Number of Residues	5
Details	binding site for residue GOL E 704

Chain	Residue
E	PHE82
E	THR85
E	PHE86
E	GLU87
E	8L9705

site_id	AF6
Number of Residues	10
Details	binding site for residue 8L9 E 705

Chain	Residue
B	LYS15
E	ILE61
E	PRO62
E	VAL70
E	PRO80
E	PHE82
E	PHE86
E	VAL115
E	MET157
E	GOL704

site_id	AF7
Number of Residues	6
Details	binding site for residue SO4 E 706

Chain	Residue
C	ARG90
C	ALA275
C	TRP276
E	ARG90
E	ALA275
E	TRP276

site_id	AF8
Number of Residues	3
Details	binding site for residue SO4 E 707

Chain	Residue
E	LYS33
E	ARG253
E	HIS255

site_id	AF9
Number of Residues	4
Details	binding site for residue SO4 E 708

Chain	Residue
B	ASP151
E	TRP42
E	GLY270
E	PRO293

site_id	AG1
Number of Residues	19
Details	binding site for residue AR6 F 401

Chain	Residue
F	GLY52
F	ALA53
F	GLY54
F	THR57
F	ASP63
F	PHE64
F	ARG65
F	GLN113
F	HIS133
F	GLY214
F	THR215
F	SER216
F	ILE219
F	ASN240
F	LEU241
F	GLN242
F	GLY256
F	TYR257
F	VAL258

site_id	AG2
Number of Residues	4
Details	binding site for residue ZN F 402

Chain	Residue
F	CYS141
F	CYS144
F	CYS166
F	CYS177

site_id	AG3
Number of Residues	7
Details	binding site for residue 8L9 F 403

Chain	Residue
C	ARG76
F	PRO62
F	PHE64
F	VAL70
F	VAL115
F	MET157
F	ASP187

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	6
Details	ACT_SITE: Proton acceptor => ECO:0000255\|PROSITE-ProRule:PRU00236, ECO:0000269\|PubMed:18337721, ECO:0000305\|PubMed:23552949, ECO:0000305\|PubMed:23892288, ECO:0000305\|PubMed:27322069, ECO:0000305\|PubMed:28406396

Chain	Residue	Details
A	HIS133
B	HIS133
C	HIS133
D	HIS133
E	HIS133
F	HIS133

site_id	SWS_FT_FI2
Number of Residues	6
Details	BINDING: BINDING => ECO:0000305\|PubMed:21362626, ECO:0007744\|PDB:3K35, ECO:0007744\|PDB:3ZG6

Chain	Residue	Details
B	ALA53
C	ALA53
D	ALA53
E	ALA53
F	ALA53
A	ALA53

site_id	SWS_FT_FI3
Number of Residues	66
Details	BINDING: BINDING => ECO:0000269\|PubMed:23552949, ECO:0000305\|PubMed:21362626, ECO:0007744\|PDB:3K35, ECO:0007744\|PDB:3ZG6

Chain	Residue	Details
A	GLY214
A	SER216
A	ASN240
A	GLN242
A	VAL258
B	THR57
B	PHE64
B	ARG65
B	TRP71
B	GLN113
B	HIS133
B	GLY214
B	SER216
B	ASN240
B	GLN242
B	VAL258
C	THR57
C	PHE64
C	ARG65
C	TRP71
C	GLN113
C	HIS133
C	GLY214
C	SER216
C	ASN240
C	GLN242
C	VAL258
D	THR57
D	PHE64
D	ARG65
D	TRP71
D	GLN113
D	HIS133
D	GLY214
D	SER216
D	ASN240
D	GLN242
D	VAL258
E	THR57
E	PHE64
E	ARG65
E	TRP71
E	GLN113
E	HIS133
E	GLY214
E	SER216
E	ASN240
E	GLN242
E	VAL258
F	THR57
F	PHE64
F	ARG65
F	TRP71
F	GLN113
F	HIS133
F	GLY214
F	SER216
F	ASN240
F	GLN242
F	VAL258
A	PHE64
A	ARG65
A	TRP71
A	GLN113
A	HIS133
A	THR57

site_id	SWS_FT_FI4
Number of Residues	24
Details	BINDING: BINDING => ECO:0000255\|PROSITE-ProRule:PRU00236, ECO:0000269\|PubMed:21362626, ECO:0000269\|PubMed:23552949, ECO:0000269\|PubMed:27990725, ECO:0007744\|PDB:3K35, ECO:0007744\|PDB:3PKI, ECO:0007744\|PDB:3PKJ, ECO:0007744\|PDB:3ZG6, ECO:0007744\|PDB:5MF6, ECO:0007744\|PDB:5MFP, ECO:0007744\|PDB:5MFZ, ECO:0007744\|PDB:5MGN

Chain	Residue	Details
A	CYS141
A	CYS144
A	CYS166
A	CYS177
B	CYS141
B	CYS144
B	CYS166
B	CYS177
C	CYS141
C	CYS144
C	CYS166
C	CYS177
D	CYS141
D	CYS144
D	CYS166
D	CYS177
E	CYS141
E	CYS144
E	CYS166
E	CYS177
F	CYS141
F	CYS144
F	CYS166
F	CYS177

site_id	SWS_FT_FI5
Number of Residues	6
Details	SITE: Formation of an covalent adduct with nitro-fatty acid activators => ECO:0000269\|PubMed:33122195

Chain	Residue	Details
A	CYS18
B	CYS18
C	CYS18
D	CYS18
E	CYS18
F	CYS18

site_id	SWS_FT_FI6
Number of Residues	6
Details	MOD_RES: Phosphoserine; by MAPK8 => ECO:0000269\|PubMed:27568560, ECO:0007744\|PubMed:23186163

Chain	Residue	Details
A	SER10
B	SER10
C	SER10
D	SER10
E	SER10
F	SER10

site_id	SWS_FT_FI7
Number of Residues	6
Details	MOD_RES: N6-acetyllysine => ECO:0000269\|PubMed:32538779

Chain	Residue	Details
A	LYS33
B	LYS33
C	LYS33
D	LYS33
E	LYS33
F	LYS33

site_id	SWS_FT_FI8
Number of Residues	6
Details	MOD_RES: Phosphothreonine => ECO:0007744\|PubMed:24275569

Chain	Residue	Details
A	THR294
B	THR294
C	THR294
D	THR294
E	THR294
F	THR294

site_id	SWS_FT_FI9
Number of Residues	6
Details	MOD_RES: Phosphoserine => ECO:0007744\|PubMed:18669648, ECO:0007744\|PubMed:23186163

Chain	Residue	Details
A	SER303
B	SER303
C	SER303
D	SER303
E	SER303
F	SER303

site_id	SWS_FT_FI10
Number of Residues	12
Details	CROSSLNK: Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in ubiquitin) => ECO:0000269\|PubMed:24043303

Chain	Residue	Details
D	LYS170
E	LYS170
F	LYS170
A	LYS170
B	LYS170
C	LYS170

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