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MolNFT v1 · #50460 · protein

Crystal structure of the reactive loop cleaved human thyroxine binding globulin

2RIV · Thyroxine-binding globulin: “Crystal structure of the reactive loop cleaved human thyroxine binding globulin”. X-ray diffraction, 1 ligand (SO4), 4 pockets (best druggability 0.61). MolNFT v1 #50460 on GenesisL1: 3D structure…

PDB
2RIV
Type
protein
Length
373 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Thyroxine-binding globulin
UniProt
P05543
Ligands
SO4
Pockets
4 · best druggability 0.61

Structure

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

ChainMoleculeTypeResiduesSecondary structureUniProt
AThyroxine-binding globulinprotein33934% helix, 37% strandP05543
BThyroxine-binding globulinprotein340% helix, 56% strandP05543

Ligands and binding sites

  • SO4 · Sulfate ion · ion · 2 copies · chains A, B
  • GOL · Glycerol · additive · 3 copies · 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
12090.610.8120empty
21320.440.7619empty
3520.300.7613empty
4540.290.7515empty

Interfaces

1 interface between chains.

  • A–B · 2537 Ų buried · 33 hydrogen bonds · protein-protein

Compared structures

  • 2RIV · Crystal structure of the reactive loop cleaved human Thyroxine Binding Globulin · the same entry in another collection · chain A against A, 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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