GL1X · GenesisL1 explorer

MolNFT v1 · #161560 · protein

Engineered beta-lactoglobulin: variant L39Y in complex with endogenous ligand

6QI7: “Engineered beta-lactoglobulin: variant L39Y in complex with endogenous ligand”. X-ray diffraction, 1 ligand (PLM), 1 pocket (best druggability 0.62). MolNFT v1 #161560 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
6QI7
Type
protein
Length
149 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Beta-lactoglobulin
UniProt
P02754
Ligands
PLM
Pockets
1 · best druggability 0.62

Structure

x-ray diffraction · 1 distinct chain · 17% helix, 43% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ABeta-lactoglobulinprotein14917% helix, 43% strandP02754

Ligands and binding sites

  • PLM · Palmitic acid · ligand · chains A
  • EDO · 1,2-ethanediol · additive · 3 copies · 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, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11650.620.8325PLM

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

  • 6QI7 · Engineered beta-lactoglobulin: variant L39Y in complex with endogenous ligand · the same entry in another collection · chain A against A, TM-score 1.00

Analyse

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