4C78: PDB entry 4C78

Complex of human Sirt3 with Bromo-Resveratrol and ACS2 peptide. Determined by X-ray diffraction at 2.0 Å resolution. Released 20 Nov 2013.

Method: X-ray diffraction
Resolution: 2.0 Å
Organism: HOMO SAPIENS
Chains: 2
Atoms: 2,261
Mol. weight: 33.09 kDa
Ligands: ZN, BVB
Released: 20 Nov 2013

Explore 4C78 in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

4C78 contains 21 α-helices and 11 β-strands across 1 chain. 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: 21 helices, 11 β-strands

Element	Residues	Length	Sheet
α-helix	125-133	9
β-strand	140-144	5	1
α-helix	146-148	3
α-helix	150-152	3
α-helix	154-156	3
α-helix	176-180	5
α-helix	182-187	6
α-helix	190-199	10
α-helix	208-218	11
β-strand	222-227	6	1
α-helix	233-236	4
α-helix	241-243	3
β-strand	244-246	3	1
β-strand	249-256	8	2
β-strand	262-264	3	2
α-helix	265-268	4
α-helix	269-273	5
β-strand	279	1	3
α-helix	285	1
β-strand	286	1	3
β-strand	287-291	5	2
α-helix	292-293	2
α-helix	297-299	3
α-helix	300-304	5
α-helix	305-311	7
β-strand	314-318	5	1
α-helix	327-331	5
β-strand	340-344	5	1
α-helix	349-353	5
β-strand	359-363	5	1
α-helix	366-377	12
α-helix	380-392	13

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
NAD-dependent protein deacetylase sirtuin-3, mitochondrial	A	protein	284	HOMO SAPIENS	Q9NTG7 (AlphaFold model)
Acetyl-coenzyme a synthetase 2-like, mitochondrial	C	protein	10	HOMO SAPIENS	Q9NUB1 (AlphaFold model)

Sequence of entity 1 (A), FASTA

>4C78_1 NAD-DEPENDENT PROTEIN DEACETYLASE SIRTUIN-3, MITOCHONDRIAL (chains A)
GSSDKGKLSLQDVAELIRARACQRVVVMVGAGISTPSGIPDFRSPGSGLYSNLQQYDLPY
PEAIFELPFFFHNPKPFFTLAKELYPGNYKPNVTHYFLRLLHDKGLLLRLYTQNIDGLER
VSGIPASKLVEAHGTFASATCTVCQRPFPGEDIRADVMADRVPRCPVCTGVVKPDIVFFG
EPLPQRFLLHVVDFPMADLLLILGTSLEVEPFASLTEAVRSSVPRLLINRDLVGPLAWHP
RSRDVAQLGDVVHGVESLVELLGWTEEMRDLVQRETGKLDGPDK

Sequence of entity 2 (C), FASTA

>4C78_2 ACETYL-COENZYME A SYNTHETASE 2-LIKE, MITOCHONDRIAL (chains C)
TRSGKVMRRL

Ligands and cofactors

ID	Name	Formula	Copies
ZN	Zinc ion	Zn	1
BVB	5-[(E)-2-(4-bromophenyl)ethenyl]benzene-1,3-diol	C14 H11 Br O2	1

Primary citation

Crystal Structures of Sirt3 Complexes with 4'-Bromo-Resveratrol Reveal Binding Sites and Inhibition Mechanism. Nguyen, G.T.T., Gertz, M., Steegborn, C. Chem Biol (2013) 20:1375. DOI 10.1016/J.CHEMBIOL.2013.09.019 · PubMed

Other PDB entries of the same protein (UniProt Q9NTG7 (AlphaFold model), which also has an AlphaFold model), best resolution first:

8ANC 1.11 Å, 14-3-3 sigma sirtuin-3 phospho-peptide complex
4BN4 1.3 Å, Structure of human SIRT3 in complex with ADP-ribose
8V5U 1.48 Å, Human SIRT3 bound to p53-AMC peptide and Honokiol
9S27 1.6 Å, Crystal structure of human SIRT3 in complex with the covalent adduct of peptide triazole…
8CCW 1.65 Å, Crystal structure of human Sirt3 in complex with an acetylated HIV1 Tat-46-54 substrate…
4JSR 1.7 Å, Crystal Structure of human SIRT3 with ELT inhibitor 11c…
8V2N 1.74 Å, Human SIRT3 co-crystallized with ligands, including p53-AMC peptide and Carba-NAD
3GLR 1.8 Å, Crystal Structure of human SIRT3 with acetyl-lysine AceCS2 peptide
5D7N 1.83 Å, Crystal structure of human Sirt3 at an improved resolution
5Z94 1.9 Å, Crystal Structure of SIRT3 in complex with H3K4bhb peptide
4BVH 1.9 Å, Crystal structure of human SIRT3 in complex with the inhibitor ex-527 and…
5BWN 1.94 Å, Crystal Structure of SIRT3 with a H3K9 Peptide Containing a Myristoyl Lysine

Browse structure collections

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