7DT3: Human transthyretin

Crystal structure of human transthyretin in complex with 4-chloro-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid. Determined by X-ray diffraction at 1.2 Å resolution. Released 13 Oct 2021.

Method: X-ray diffraction
Resolution: 1.2 Å
Organism: Homo sapiens
Chains: 2
Atoms: 2,078
Mol. weight: 35.27 kDa
Ligands: HG6, CA
Released: 13 Oct 2021

Explore 7DT3 in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

7DT3 contains 2 α-helices and 20 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: 1 helix, 11 β-strands

Element	Residues	Length	Sheet
β-strand	12-18	7	1
β-strand	23-24	2	1
β-strand	29-35	7	2
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	88-97	10	2
β-strand	99	1	3
β-strand	101	1	3
β-strand	104-112	9	1
β-strand	115-123	9	1

Chain B: 1 helix, 9 β-strands

Element	Residues	Length	Sheet
β-strand	12-18	7	1
β-strand	23-24	2	1
β-strand	29-35	7	2
β-strand	41-48	8	2
β-strand	54-55	2	1
β-strand	67-73	7	2
α-helix	75-82	8
β-strand	88-97	10	2
β-strand	104-112	9	1
β-strand	115-123	9	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

>7DT3_1 Transthyretin (chains A, B)
MRGSHHHHHHGSMASHRLLLLCLAGLVFVSEAGPTGTGESKCPLMVKVLDAVRGSPAINV
AVHVFRKAADDTWEPFASGKTSESGELHGLTTEEEFVEGIYKVEIDTKSYWKALGISPFH
EHAEVVFTANDSGPRRYTIAALLSPYSYSTTAVVTNPKE

Ligands and cofactors

ID	Name	Formula	Copies
HG6	4-chloranyl-9,10-bis(oxidanylidene)anthracene-2-carboxylic acid	C15 H7 Cl O4	2
CA	Calcium ion	Ca	2

Primary citation

Inhibitory activities of anthraquinone and xanthone derivatives against transthyretin amyloidogenesis. Kitakami, R., Inui, K., Nakagawa, Y. et al. Bioorg Med Chem (2021) 44:116292-116292. DOI 10.1016/j.bmc.2021.116292 · 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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