MolNFT v1 · #63524 · protein

Crystal structure of transthyretin in complex with iododiflunisal-betaalaoh

3FCB: “Crystal structure of transthyretin in complex with iododiflunisal-betaalaoh”. X-ray diffraction, 1 ligand (IFB), 2 pockets (best druggability 0.36). MolNFT v1 #63524 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 3FCB
Type: protein
Length: 230 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Transthyretin
UniProt: P02766
Ligands: IFB
Pockets: 2 · best druggability 0.36

Structure

x-ray diffraction · 1 distinct chain · 6% helix, 53% strand (DSSP).

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

Ligands and binding sites

IFB · N-[(2',4'-difluoro-4-hydroxy-5-iodobiphenyl-3-yl)carbonyl]-beta-alanine · ligand · 2 copies · chains A, B

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

Pockets

2 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	87	0.36	0.75	21	empty
2	69	0.32	0.75	15	empty

Interfaces

1 interface between chains.

A–B · 931 Å² buried · 21 hydrogen bonds · protein-protein

Compared structures

3FCB · Crystal structure of transthyretin in complex with iododiflunisal-betaAlaOH · 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 3FCB · PDBe 3FCB · UniProt P02766

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