MolNFT v1 · #165511 · protein

A25T transthyretin structure in complex with tolcalpone

6TXV: “A25T transthyretin structure in complex with tolcalpone”. X-ray diffraction, 1 ligand (TCW), 3 pockets (best druggability 0.31). MolNFT v1 #165511 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6TXV
Type: protein
Length: 232 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Transthyretin
UniProt: P02766
Ligands: TCW
Pockets: 3 · best druggability 0.31

Structure

x-ray diffraction · 1 distinct chain · 6% helix, 51% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Transthyretin	protein	116	6% helix, 51% strand	P02766

Ligands and binding sites

TCW · Tolcapone · ligand · 2 copies · chains A, B

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	57	0.31	0.76	16	empty
2	52	0.31	0.77	15	empty
3	56	0.24	0.71	16	empty

Interfaces

1 interface between chains.

A–B · 916 Å² buried · 20 hydrogen bonds · protein-protein

Compared structures

6TXV · A25T Transthyretin structure in complex with Tolcalpone · 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 6TXV · PDBe 6TXV · UniProt P02766

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