6XV1

Human Sirt6 13-308 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

Functional Information from PDB Data

site_id	AC1
Number of Residues	25
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	HOH505
A	HOH523
A	HOH544
B	ASP83
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	6
Details	binding site for residue 8L9 A 403

Chain	Residue
A	PRO62
A	VAL70
A	PHE86
A	VAL115
A	MET136
A	MET157

---

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

Chain	Residue
A	VAL154
A	GLY155
A	THR162
A	ARG164
A	LYS296

---

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

Chain	Residue
A	LYS33
A	ARG253
A	HIS255
A	HOH540

---

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

Chain	Residue
A	ARG205
A	ARG231
B	ARG205

---

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

Chain	Residue
A	ARG220
A	PRO221
A	ASN224

---

site_id	AC8
Number of Residues	6
Details	binding site for residue SO4 A 408

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

---

site_id	AC9
Number of Residues	25
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	TRP71
B	GLN113
B	HIS133
B	TRP188
B	GLY214
B	THR215
B	SER216
B	ILE219
B	ASN240
B	LEU241
B	GLN242
B	GLY256
B	TYR257
B	VAL258
B	HOH501
B	HOH503
B	HOH526

---

site_id	AD1
Number of Residues	4
Details	binding site for residue ZN B 402

Chain	Residue
B	CYS141
B	CYS144
B	CYS166
B	CYS177

---

site_id	AD2
Number of Residues	4
Details	binding site for residue SO4 B 403

Chain	Residue
A	HIS68
A	LYS81
B	HIS68
B	LYS81

---

site_id	AD3
Number of Residues	3
Details	binding site for residue SO4 B 404

Chain	Residue
B	LYS33
B	ARG253
B	HIS255

---

site_id	AD4
Number of Residues	3
Details	binding site for residue SO4 B 405

Chain	Residue
B	ARG220
B	PRO221
B	ASN224

---

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

---