8QT3: Human Sirt2

Crystal structure of human Sirt2 in complex with the super-slow substrate TNFn-5 and NAD+. Determined by X-ray diffraction at 1.55 Å resolution. Released 23 Oct 2024.

Method: X-ray diffraction
Resolution: 1.55 Å
Organism: Homo sapiens
Chains: 2
Atoms: 2,764
Mol. weight: 36.62 kDa
Ligands: ZN, NAD, WU3
Released: 23 Oct 2024

Explore 8QT3 in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

8QT3 contains 19 α-helices and 19 β-strands across 2 chains. Residue ranges use author residue numbering, as in the PDB file, from PDBe. To see them in 3D, choose the Cartoon representation with Secondary structure coloring: helices, sheets and coils get different colors.

Chain A: 17 helices, 17 β-strands

Element	Residues	Length	Sheet
α-helix	64-71	8
β-strand	79-83	5	1
α-helix	85-87	3
α-helix	89-91	3
α-helix	108-110	3
α-helix	115-119	5
β-strand	120	1	2
α-helix	121-126	6
α-helix	129-138	10
α-helix	147-157	11
β-strand	161-166	6	1
α-helix	172-175	4
α-helix	180-182	3
β-strand	183-185	3	1
β-strand	188-195	8	3
β-strand	203-205	3	3
α-helix	206-214	9
β-strand	220	1	4
β-strand	227	1	4
β-strand	228-232	5	3
β-strand	235	1	2
β-strand	238	1	5
α-helix	239-240	2
α-helix	241-250	10
β-strand	256-260	5	1
β-strand	267	1	6
α-helix	269-274	6
β-strand	282-286	5	1
β-strand	292	1	7
α-helix	293-294	2
β-strand	307	1	7
β-strand	317-321	5	1
α-helix	324-335	12
α-helix	338-355	18

Chain B: 2 helices, 2 β-strands

Element	Residues	Length	Sheet
α-helix	3-4	2
β-strand	5	1	5
α-helix	6	1
β-strand	7	1	6

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
NAD-dependent protein deacetylase sirtuin-2	A	protein	304	Homo sapiens	Q8IXJ6 (AlphaFold model)
Peptide-based super-slow substrate TNFn-5	B	protein	9	Homo sapiens

Sequence of entity 1 (A), FASTA

>8QT3_1 NAD-dependent protein deacetylase sirtuin-2 (chains A)
GHMERLLDELTLEGVARYMQSERCRRVICLVGAGISTSAGIPDFRSPSTGLYDNLEKYHL
PYPEAIFEISYFKKHPEPFFALAKELYPGQFKPTICHYFMRLLKDKGLLLRCYTQNIDTL
ERIAGLEQEDLVEAHGTFYTSHCVSASCRHEYPLSWMKEKIFSEVTPKCEDCQSLVKPDI
VFFGESLPARFFSCMQSDFLKVDLLLVMGTSLQVQPFASLISKAPLSTPRLLINKEKAGQ
SDPFLGMIMGLGGGMDFDSKKAYRDVAWLGECDQGCLALAELLGWKKELEDLVRREHASI
DAQS

Sequence of entity 2 (B), FASTA

>8QT3_2 Peptide-based super-slow substrate TNFn-5 (chains B)
EALPKKYGG

Ligands and cofactors

ID	Name	Formula	Copies
ZN	Zinc ion	Zn	1
NAD	Nicotinamide-adenine-dinucleotide	C21 H27 N7 O14 P2	1
WU3	(2S)-2-dodecylsulfanylpropanoic acid	C15 H30 O2 S	1

Water and common crystallization additives (EDO) are not listed.

Primary citation

New Super-Slow Substrates as novel Sirtuin-Inhibitors. Friedrich, F., Kalbas, D., Einsle, O. et al. To be published.

Other PDB entries of the same protein (UniProt Q8IXJ6 (AlphaFold model), which also has an AlphaFold model), best resolution first:

9S1Z 1.1 Å, Crystal structure of human SIRT2 in complex with the covalent adduct of SirReal-triazole…
9FDR 1.25 Å, Crystal structure of human Sirt2 in apo form with opened selectivity pocket
9FDS 1.4 Å, Crystal structure of human Sirt2 in complex with SirReal2
4RMH 1.42 Å, Human Sirt2 in complex with SirReal2 and Ac-Lys-H3 peptide
30KD 1.45 Å, Crystal structure of human SIRT2 in complex with KMyrMe peptide
4RMI 1.45 Å, Human Sirt2 in complex with SirReal1 and Ac-Lys-OTC peptide
9S46 1.45 Å, Human SIRT2 in Complex with RW-78
9S48 1.45 Å, Human SIRT2 in Complex with RW-80
5YQO 1.48 Å, Crystal structure of Sirt2 in complex with selective inhibitor L5C
4X3O 1.5 Å, Sirt2 in complex with a myristoyl peptide
9S20 1.5 Å, Crystal structure of human SIRT2 in complex with SirReal-triazole inhibitor SH10
8QOO 1.55 Å, Crystal structure of human Sirt2 in complex with the peptide-based pseudo-inhibitor…

Browse structure collections

About this viewer

MolViewer shows 8QT3 directly in your browser with nothing to install. Switch between cartoon, ball-and-stick, spacefill and surface views, color by chain, secondary structure or B-factor, measure distances, angles and dihedrals, and share or embed the view.