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MolNFT v1 · #149968 · protein

Thermodynamic, crystallographic and computational studies of non mammalian fatty acid binding to bovine B-lactoglobulin

6GFS · Beta-lactoglobulin: “Thermodynamic, crystallographic and computational studies of non mammalian fatty acid binding to bovine…”. X-ray diffraction, 2 ligands (F15, CL), 1 pocket (best druggability 0.66). MolNFT v1 #149968 on…

PDB
6GFS
Type
protein
Length
162 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Beta-lactoglobulin
UniProt
P02754
Ligands
F15, CL
Pockets
1 · best druggability 0.66

Structure

x-ray diffraction · 1 distinct chain · 15% helix, 40% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ABeta-lactoglobulinprotein16215% helix, 40% strandP02754

Ligands and binding sites

  • F15 · Pentadecanoic acid · ligand · chains A
  • CL · Chloride ion · ion · 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
11850.660.8424F15

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

  • 6GFS · Thermodynamic, Crystallographic and Computational Studies of Non Mammalian Fatty Acid… · the same entry in another collection · chain A against A, TM-score 1.00

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