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MolNFT v1 · #126299 · protein

Crystal structure of intracellular B30.2 domain of BTN3A1 bound to citrate

5LYK · Butyrophilin subfamily 3 member A1: “Crystal structure of intracellular B30.2 domain of BTN3A1 bound to citrate”. X-ray diffraction, 1 pocket (best druggability 0.28). MolNFT v1 #126299 on GenesisL1: 3D structure, binding sites and…

PDB
5LYK
Type
protein
Length
187 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Butyrophilin subfamily 3 member A1
UniProt
O00481
Pockets
1 · best druggability 0.28

Structure

x-ray diffraction · 1 distinct chain · 8% helix, 37% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AButyrophilin subfamily 3 member A1protein1878% helix, 37% strandO00481

Ligands and binding sites

  • FLC · Citrate anion · additive · chains A
  • EDO · 1,2-ethanediol · 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
1510.280.7515empty

Compared structures

  • 5LYK · Crystal structure of intracellular B30.2 domain of BTN3A1 bound to citrate · the same entry in another collection · chain A against A, TM-score 1.00
  • O00481 · AlphaFold monomer V2.0 prediction for butyrophilin subfamily 3 member A1 (O00481) · a predicted model of the same protein · chain A against A, TM-score 0.99

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