MolNFT v1 · #93970 · protein

The structure of V122I mutant transthyretin in complex with AG10

4HIQ: “The structure of V122I mutant transthyretin in complex with AG10”. X-ray diffraction, 1 ligand (16V), 3 pockets (best druggability 0.32). MolNFT v1 #93970 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4HIQ
Type: protein
Length: 231 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Transthyretin
UniProt: P02766
Ligands: 16V
Pockets: 3 · best druggability 0.32

Structure

x-ray diffraction · 2 distinct chains · 6% helix, 52% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Transthyretin	protein	116	6% helix, 51% strand	P02766
B	Transthyretin	protein	115	6% helix, 52% strand	P02766

Ligands and binding sites

16V · 3-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propoxy]-4-fluorobenzoic acid · 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	56	0.32	0.76	14	empty
2	63	0.30	0.75	15	empty
3	55	0.25	0.73	23	empty

Interfaces

1 interface between chains.

A–B · 926 Å² buried · 19 hydrogen bonds · protein-protein

Compared structures

4HIQ · The Structure of V122I Mutant Transthyretin in Complex with AG10 · 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 4HIQ · PDBe 4HIQ · UniProt P02766

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