Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

5Y2F

Human SIRT6 in complex with allosteric activator MDL-801

Functional Information from GO Data

Chain	GOid	namespace	contents
A	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	GLU20
A	GLN111
A	HIS131
A	GLY212
A	THR213
A	SER214
A	ILE217
A	ASN238
A	LEU239
A	GLN240
A	GLY254
A	GLY50
A	TYR255
A	VAL256
A	SO4412
A	HOH508
A	HOH527
A	HOH531
A	HOH559
A	HOH574
C	LYS5
C	HDR101
A	ALA51
A	GLY52
A	THR55
A	ASP61
A	PHE62
A	ARG63
A	TRP69

site_id	AC2
Number of Residues	11
Details	binding site for residue 8L9 A 402

Chain	Residue
A	ASN2
A	GLU72
A	PHE80
A	THR83
A	PHE84
A	GLU85
A	MET134
A	VAL151
A	GOL408
A	HOH603
C	HDR101

site_id	AC3
Number of Residues	4
Details	binding site for residue ZN A 403

Chain	Residue
A	CYS139
A	CYS142
A	CYS164
A	CYS175

site_id	AC4
Number of Residues	7
Details	binding site for residue GOL A 404

Chain	Residue
A	GLU187
A	LYS243
A	HIS244
A	ARG246
A	HIS247
A	HOH521
C	HOH205

site_id	AC5
Number of Residues	7
Details	binding site for residue GOL A 405

Chain	Residue
A	ARG124
A	GLN145
A	GLU281
A	GLU281
A	ARG282
A	HOH526
A	HOH587

site_id	AC6
Number of Residues	2
Details	binding site for residue GOL A 406

Chain	Residue
A	LYS228
A	HIS247

site_id	AC7
Number of Residues	4
Details	binding site for residue GOL A 407

Chain	Residue
A	GLU34
A	ARG37
A	GLN41
A	ARG233

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

Chain	Residue
A	ALA5
A	MET134
A	GLY153
A	THR154
A	MET155
A	8L9402

site_id	AC9
Number of Residues	1
Details	binding site for residue SO4 A 409

Chain	Residue
A	ARG180

site_id	AD1
Number of Residues	2
Details	binding site for residue SO4 A 410

Chain	Residue
A	ALA159
A	THR160

site_id	AD2
Number of Residues	5
Details	binding site for residue SO4 A 411

Chain	Residue
A	ARG218
A	PRO219
A	ASN222
A	PEG415
C	HOH201

site_id	AD3
Number of Residues	5
Details	binding site for residue SO4 A 412

Chain	Residue
A	GLU20
A	THR55
A	AR6401
A	HOH511
A	HOH581

site_id	AD4
Number of Residues	3
Details	binding site for residue SO4 A 413

Chain	Residue
A	LYS31
A	ARG251
A	HIS253

site_id	AD5
Number of Residues	3
Details	binding site for residue SO4 A 414

Chain	Residue
A	TRP33
A	LYS265
A	HOH555

site_id	AD6
Number of Residues	3
Details	binding site for residue PEG A 415

Chain	Residue
A	ASP199
A	SO4411
C	ALA3

site_id	AD7
Number of Residues	6
Details	binding site for residue HDR C 101

Chain	Residue
A	MET155
A	LEU184
A	TRP186
A	AR6401
A	8L9402
C	LYS5

site_id	AD8
Number of Residues	3
Details	binding site for residue SO4 C 102

Chain	Residue
C	ARG4
C	HOH201
C	ALA3

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	245
Details	Domain: {"description":"Deacetylase sirtuin-type","evidences":[{"source":"PROSITE-ProRule","id":"PRU00236","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

site_id	SWS_FT_FI2
Number of Residues	9
Details	Compositional bias: {"description":"Pro residues","evidences":[{"source":"SAM","id":"MobiDB-lite","evidenceCode":"ECO:0000256"}]}

Chain

Residue

Details

site_id	SWS_FT_FI3
Number of Residues	1
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_FI4
Number of Residues	1
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_FI5
Number of Residues	11
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_FI6
Number of Residues	4
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_FI7
Number of Residues	1
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_FI8
Number of Residues	1
Details	Modified residue: {"description":"Phosphoserine; by MAPK8","evidences":[{"source":"PubMed","id":"27568560","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"23186163","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI9
Number of Residues	1
Details	Modified residue: {"description":"N6-acetyllysine","evidences":[{"source":"PubMed","id":"32538779","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

site_id	SWS_FT_FI10
Number of Residues	1
Details	Modified residue: {"description":"Phosphothreonine","evidences":[{"source":"PubMed","id":"24275569","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI11
Number of Residues	2
Details	Cross-link: {"description":"Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in ubiquitin)","evidences":[{"source":"PubMed","id":"24043303","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

site_id	SWS_FT_FI12
Number of Residues	1
Details	Modified residue: {"description":"Phosphothreonine; by PKC","evidences":[{"source":"PubMed","id":"20228790","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

site_id	SWS_FT_FI13
Number of Residues	1
Details	Modified residue: {"description":"Symmetric dimethylarginine; by PRMT5; alternate","evidences":[{"source":"UniProtKB","id":"P68433","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

site_id	SWS_FT_FI14
Number of Residues	1
Details	Modified residue: {"description":"N6-methyllysine; alternate","evidences":[{"source":"PubMed","id":"11242053","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"16185088","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"16267050","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"16457588","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"17194708","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

site_id	SWS_FT_FI15
Number of Residues	1
Details	Modified residue: {"description":"Phosphoserine; alternate; by AURKB, AURKC, RPS6KA3, RPS6KA4 and RPS6KA5","evidences":[{"source":"PubMed","id":"10464286","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"11856369","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"12560483","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"15681610","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"16185088","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"16457588","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

site_id	SWS_FT_FI16
Number of Residues	1
Details	Modified residue: {"description":"Phosphothreonine; by PKC and CHEK1","evidences":[{"source":"PubMed","id":"12560483","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"18066052","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"18243098","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"22901803","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

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