8W48: Neutron and X-ray joint structure of WT-TTR

Neutron and X-ray joint structure of WT-TTR in complex with piceatannol. Determined by X-ray diffraction at 1.19 Å resolution. Released 22 Nov 2023.

Method: X-ray diffraction
Resolution: 1.19 Å
Organism: Homo sapiens
Chains: 2
Atoms: 1,909
Mol. weight: 35.11 kDa
Ligands: PIT
Released: 22 Nov 2023

Explore 8W48 in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

8W48 contains 3 α-helices and 22 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: 2 helices, 12 β-strands

Element	Residues	Length	Sheet
β-strand	12-18	7	1
β-strand	23-24	2	1
β-strand	29-35	7	2
α-helix	40	1
β-strand	41-48	8	2
β-strand	54-55	2	1
β-strand	67-73	7	2
α-helix	75-81	7
β-strand	88	1	3
β-strand	91-97	7	2
β-strand	99	1	4
β-strand	101	1	4
β-strand	104-112	9	1
β-strand	115-123	9	1

Chain B: 1 helix, 10 β-strands

Element	Residues	Length	Sheet
β-strand	12-18	7	1
β-strand	23-24	2	1
β-strand	29-35	7	3
β-strand	41-48	8	3
β-strand	54-55	2	1
β-strand	67-73	7	3
α-helix	75-81	7
β-strand	88	1	2
β-strand	91-97	7	3
β-strand	105-112	8	1
β-strand	115-122	8	1

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Transthyretin	A, B	protein	159	Homo sapiens	P02766 (AlphaFold model)

Sequence of entity 1 (A, B), FASTA

>8W48_1 Transthyretin (chains A, B)
MRGSHHHHHHGSMASHRLLLLCLAGLVFVSEAGPTGTGESKCPLMVKVLDAVRGSPAINV
AVHVFRKAADDTWEPFASGKTSESGELHGLTTEEEFVEGIYKVEIDTKSYWKALGISPFH
EHAEVVFTANDSGPRRYTIAALLSPYSYSTTAVVTNPKE

Ligands and cofactors

ID	Name	Formula	Copies
PIT	Piceatannol	C14 H12 O4	2

Primary citation

Resveratrol Derivatives Inhibit Transthyretin Fibrillization: Structural Insights into the Interactions between Resveratrol Derivatives and Transthyretin. Yokoyama, T., Kusaka, K., Mizuguchi, M. et al. J Med Chem (2023) 66:15511-15523. DOI 10.1021/acs.jmedchem.3c01698 · PubMed

Other PDB entries of the same protein (UniProt P02766 (AlphaFold model), which also has an AlphaFold model), best resolution first:

1F86 1.1 Å, Transthyretin THR119MET protein stabilisation
8C86 1.1 Å, Crystal structure of human transthyretin in complex with 3-O-methyltolcapone analogue 2
8W45 1.1 Å, X-ray crystal structure of V30M-TTR in complex with pinostilbene
4QXV 1.12 Å, Crystal structure of human transthyretin in complex with luteolin at 1.1 a resolution
4KY2 1.13 Å, Transthyretin in complex with the fluorescent folding sensor…
4D7B 1.15 Å, Structure of human transthyretin in complex with Tolcapone
7EJQ 1.15 Å, Crystal structure of human transthyretin in complex with…
8AWI 1.15 Å, Crystal structure of Human Transthyretin at 1.15 Angstrom resolution
6TXW 1.15 Å, V30G Transthyretin structure in complex with Tolcalpone
4L1T 1.16 Å, Transthyretin in complex with (E)-3-(dimethylamino)-5-(4-hydroxy-3,5-dimethylstyryl)benzo…
4HIQ 1.18 Å, The Structure of V122I Mutant Transthyretin in Complex with AG10
9H7L 1.18 Å, Human Transthyretin in Complex with 4-phenyl-1H-pyrazolo[3,4-b]pyridin-3-amine

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