MolNFT v1 · #31881 · protein

Human transthyretin (ttr) complexed with diflunisal analogues- TTR.3', 5'-difluorobiphenyl-4-carboxylic acid

2B9A: “Human transthyretin (ttr) complexed with diflunisal analogues- TTR.3', 5'-difluorobiphenyl-4-carboxylic acid”. X-ray diffraction, 1 ligand (FBC), 1 pocket (best druggability 0.38). MolNFT v1 #31881 on GenesisL1: 3D structure…

PDB: 2B9A
Type: protein
Length: 223 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Transthyretin
UniProt: P02766
Ligands: FBC
Pockets: 1 · best druggability 0.38

Structure

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

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Transthyretin	protein	108	6% helix, 53% strand	P02766
B	Transthyretin	protein	115	5% helix, 53% strand	P02766

Ligands and binding sites

FBC · 3',5'-difluorobiphenyl-4-carboxylic acid · ligand · 2 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	79	0.38	0.78	17	empty

Interfaces

1 interface between chains.

A–B · 939 Å² buried · 21 hydrogen bonds · protein-protein

Compared structures

2B9A · Human transthyretin (TTR) complexed with diflunisal analogues… · 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 2B9A · PDBe 2B9A · UniProt P02766

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