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MolNFT v1 · #55081 · protein

Crystal structure of mal adaptor protein

2Y92 · TOLL/INTERLEUKIN-1 receptor domain-containing adapter…: “Crystal structure of mal adaptor protein”. X-ray diffraction, 1 pocket (best druggability 0.31). MolNFT v1 #55081 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
2Y92
Type
protein
Length
127 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
TOLL/INTERLEUKIN-1 receptor domain-containing adapter protein,
UniProt
P58753
Pockets
1 · best druggability 0.31

Structure

x-ray diffraction · 1 distinct chain · 45% helix, 19% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ATOLL/INTERLEUKIN-1 receptor domain-containing adapter protein,protein12745% helix, 19% strandP58753

Ligands and binding sites

  • DTT · 2,3-dihydroxy-1,4-dithiobutane · additive · chains A

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.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1760.310.7416empty

Modifications

Observed in the structure: 2 covalent, 2 disulfide (additive adduct, disulfide).

Compared structures

  • 2Y92 · Crystal structure of MAL adaptor protein · the same entry in another collection · chain A against A, TM-score 1.00
  • P58753 · AlphaFold monomer V2.0 prediction for TOLL/INTERLEUKIN-1 receptor domain-containing… · a predicted model of the same protein · chain A against A, TM-score 0.87

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