Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

6QCE

Human Sirt6 in complex with ADP-ribose and the activator isoquercetin

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0070403	molecular_function	NAD+ binding
B	0070403	molecular_function	NAD+ binding

Functional Information from PDB Data

site_id	AC1
Number of Residues	29
Details	binding site for residue AR6 A 401

Chain	Residue
A	GLY52
A	HIS133
A	TRP188
A	GLY214
A	THR215
A	SER216
A	ILE219
A	ASN240
A	LEU241
A	GLN242
A	GLY256
A	ALA53
A	TYR257
A	VAL258
A	HW2408
A	EDO412
A	HOH505
A	HOH554
A	HOH555
A	HOH588
B	ASP83
B	HOH547
A	GLY54
A	THR57
A	ASP63
A	PHE64
A	ARG65
A	TRP71
A	GLN113

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	4
Details	binding site for residue SO4 A 403

Chain	Residue
A	VAL154
A	GLY155
A	ARG164
A	LYS296

site_id	AC4
Number of Residues	4
Details	binding site for residue SO4 A 404

Chain	Residue
A	LYS33
A	ARG253
A	HIS255
A	HOH540

site_id	AC5
Number of Residues	6
Details	binding site for residue SO4 A 405

Chain	Residue
A	ARG205
A	ARG231
A	ARG232
B	ARG205
B	ARG231
B	ARG232

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

Chain	Residue
A	ARG220
A	PRO221
A	ASN224

site_id	AC7
Number of Residues	7
Details	binding site for residue SO4 A 407

Chain	Residue
A	ARG90
A	ALA275
A	TRP276
A	HOH518
B	ARG90
B	ALA275
B	TRP276

site_id	AC8
Number of Residues	13
Details	binding site for residue HW2 A 408

Chain	Residue
A	ILE61
A	PRO62
A	PHE64
A	TRP71
A	PHE82
A	PHE86
A	MET136
A	MET157
A	AR6401
A	EDO410
A	HOH514
A	HOH561
A	HOH568

site_id	AC9
Number of Residues	4
Details	binding site for residue EDO A 409

Chain	Residue
A	PHE82
A	THR84
A	HOH513
B	TYR257

site_id	AD1
Number of Residues	2
Details	binding site for residue EDO A 410

Chain	Residue
A	GLU74
A	HW2408

site_id	AD2
Number of Residues	4
Details	binding site for residue EDO A 411

Chain	Residue
A	TYR257
B	PHE82
B	THR84
B	THR85

site_id	AD3
Number of Residues	3
Details	binding site for residue EDO A 412

Chain	Residue
A	HIS133
A	TRP188
A	AR6401

site_id	AD4
Number of Residues	28
Details	binding site for residue AR6 B 401

Chain	Residue
B	ILE219
B	ASN240
B	LEU241
B	GLN242
B	GLY256
B	TYR257
B	VAL258
B	HW2407
B	HOH512
B	HOH542
B	HOH559
B	HOH573
A	ASP83
A	HOH539
B	GLY52
B	ALA53
B	GLY54
B	THR57
B	ASP63
B	PHE64
B	ARG65
B	TRP71
B	GLN113
B	HIS133
B	TRP188
B	GLY214
B	THR215
B	SER216

site_id	AD5
Number of Residues	4
Details	binding site for residue ZN B 402

Chain	Residue
B	CYS141
B	CYS144
B	CYS166
B	CYS177

site_id	AD6
Number of Residues	6
Details	binding site for residue SO4 B 403

Chain	Residue
A	HIS68
A	HOH520
A	HOH522
A	HOH541
B	HIS68
B	LYS81

site_id	AD7
Number of Residues	4
Details	binding site for residue SO4 B 404

Chain	Residue
B	LYS33
B	ARG253
B	HIS255
B	HOH530

site_id	AD8
Number of Residues	5
Details	binding site for residue SO4 B 405

Chain	Residue
B	VAL154
B	GLY155
B	THR162
B	ARG164
B	LYS296

site_id	AD9
Number of Residues	4
Details	binding site for residue SO4 B 406

Chain	Residue
B	ARG220
B	PRO221
B	ASN224
B	HOH535

site_id	AE1
Number of Residues	12
Details	binding site for residue HW2 B 407

Chain	Residue
B	ILE61
B	PRO62
B	PHE64
B	VAL70
B	PHE82
B	PHE86
B	VAL115
B	MET136
B	MET157
B	AR6401
B	HOH544
B	HOH546

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	18
Details	Compositional bias: {"description":"Pro residues","evidences":[{"source":"SAM","id":"MobiDB-lite","evidenceCode":"ECO:0000256"}]}

Chain

Residue

Details

site_id	SWS_FT_FI2
Number of Residues	2
Details	Active site: {"description":"Proton acceptor","evidences":[{"source":"PROSITE-ProRule","id":"PRU00236","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"18337721","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"23552949","evidenceCode":"ECO:0000305"},{"source":"PubMed","id":"23892288","evidenceCode":"ECO:0000305"},{"source":"PubMed","id":"27322069","evidenceCode":"ECO:0000305"},{"source":"PubMed","id":"28406396","evidenceCode":"ECO:0000305"}]}

Chain

Residue

Details

site_id	SWS_FT_FI3
Number of Residues	2
Details	Binding site: {"evidences":[{"source":"PubMed","id":"21362626","evidenceCode":"ECO:0000305"},{"source":"PDB","id":"3K35","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3ZG6","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI4
Number of Residues	22
Details	Binding site: {"evidences":[{"source":"PubMed","id":"23552949","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"21362626","evidenceCode":"ECO:0000305"},{"source":"PDB","id":"3K35","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3ZG6","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI5
Number of Residues	8
Details	Binding site: {"evidences":[{"source":"PROSITE-ProRule","id":"PRU00236","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"21362626","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"23552949","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"27990725","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"3K35","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3PKI","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3PKJ","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3ZG6","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5MF6","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5MFP","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5MFZ","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5MGN","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI6
Number of Residues	2
Details	Site: {"description":"Formation of an covalent adduct with nitro-fatty acid activators","evidences":[{"source":"PubMed","id":"33122195","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

site_id	SWS_FT_FI7
Number of Residues	2
Details	Modified residue: {"description":"N6-acetyllysine","evidences":[{"source":"PubMed","id":"32538779","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

site_id	SWS_FT_FI8
Number of Residues	2
Details	Modified residue: {"description":"Phosphothreonine","evidences":[{"source":"PubMed","id":"24275569","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

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