MolNFT v1 · #22821 · protein

Crystal structure determination at 2.3A of human transthyretin-3',5'- dibromo-2',4,4',6-tetra-hydroxyaurone complex

1THC: “Crystal structure determination at 2.3A of human transthyretin-3',5'- dibromo-2',4,4',6-tetra-hydroxyaurone…”. X-ray diffraction, 1 ligand (FL9), 1 pocket (best druggability 0.33). MolNFT v1 #22821 on GenesisL1: 3D structure…

PDB: 1THC
Type: protein
Length: 233 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Transthyretin
UniProt: P02766
Ligands: FL9
Pockets: 1 · best druggability 0.33

Structure

x-ray diffraction · 2 distinct chains · 5% helix, 53% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Transthyretin	protein	118	5% helix, 50% strand	P02766
B	Transthyretin	protein	115	4% helix, 56% strand	P02766

Ligands and binding sites

FL9 · 3',5'-dibromo-2',4,4',6'-tetrahydroxy aurone · ligand · 4 copies · chains A, B

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	73	0.33	0.75	16	empty

Interfaces

1 interface between chains.

A–B · 921 Å² buried · 17 hydrogen bonds · protein-protein

Compared structures

1THC · Crystal structure determination at 2.3A of human… · the same entry in another collection · chain A against A, TM-score 1.00

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Every structure of UniProt P02766
Elsewhere: RCSB PDB 1THC · PDBe 1THC · UniProt P02766

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