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MolNFT v1 · #50461 · protein

The reactive loop cleaved human thyroxine binding globulin complexed with thyroxine

2RIW · Thyroxine-binding globulin: “The reactive loop cleaved human thyroxine binding globulin complexed with thyroxine”. X-ray diffraction, 1 ligand (T44), 4 pockets (best druggability 0.60). MolNFT v1 #50461 on GenesisL1: 3D structure…

PDB
2RIW
Type
protein
Length
371 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Thyroxine-binding globulin
UniProt
P05543
Ligands
T44
Pockets
4 · best druggability 0.60

Structure

x-ray diffraction · 2 distinct chains · 31% helix, 39% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AThyroxine-binding globulinprotein33734% helix, 38% strandP05543
BThyroxine-binding globulinprotein340% helix, 56% strandP05543

Ligands and binding sites

  • T44 · 3,5,3',5'-tetraiodo-L-thyronine · ligand · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11820.600.8217T44
21120.400.7617empty
3550.350.7812empty
4530.270.7415empty

Interfaces

1 interface between chains.

  • A–B · 2555 Ų buried · 29 hydrogen bonds · protein-protein

Compared structures

  • 2RIW · The Reactive loop cleaved human Thyroxine Binding Globulin complexed with thyroxine · the same entry in another collection · chain B against B, TM-score 1.00
  • P05543 · AlphaFold monomer V2.0 prediction for thyroxine-binding globulin (P05543) · a predicted model of the same protein · chain A against A, TM-score 0.92

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