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MolNFT v1 · #181374 · protein

Structure of the cgas-like receptor human MB21D2

7LT1 · Protein MB21D2: “Structure of the cgas-like receptor human MB21D2”. X-ray diffraction, 1 ligand (SO4), 7 pockets (best druggability 0.75). MolNFT v1 #181374 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
7LT1
Type
protein
Length
796 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Protein MB21D2
UniProt
Q8IYB1
Ligands
SO4
Pockets
7 · best druggability 0.75

Structure

x-ray diffraction · 2 distinct chains · 48% helix, 19% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AProtein MB21D2protein40348% helix, 19% strandQ8IYB1
BProtein MB21D2protein39347% helix, 19% strandQ8IYB1

Ligands and binding sites

  • SO4 · Sulfate ion · ion · 3 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16230.750.8159empty
27290.740.7959empty
38410.730.7877empty
42610.680.8442empty
51270.500.8017empty

Interfaces

1 interface between chains.

  • A–B · 418 Ų buried · 1 hydrogen bond · protein-protein

Modifications

Observed in the structure: 26 modified (engineered).

Compared structures

  • 7LT1 · Structure of the cGAS-like receptor human MB21D2 · the same entry in another collection · chain A against A, TM-score 1.00
  • Q8IYB1 · AlphaFold monomer V2.0 prediction for protein MB21D2 (Q8IYB1) · a predicted model of the same protein · chain B against A, TM-score 0.98

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