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Lipocalin Q83 is a siderocalin

Analyse Lipocalin Q83 is a siderocalin in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2KT4
Type
protein
Length
157 residues
Chains
1
Method
solution nmr
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Extracellular fatty acid-binding protein
UniProt
Q9I9P7
Ligands
EB4, GA
Pockets
2 · best druggability 0.77

Structure

solution nmr · 1 distinct chain · 18% helix, 45% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
BExtracellular fatty acid-binding proteinprotein15718% helix, 45% strandQ9I9P7

Ligands and binding sites

  • EB4 · N,N',N''-[(3S,7S,11S)-2,6,10-trioxo-1,5,9-trioxacyclododecane-3,7,11-triyl]tris(2,3-dihydroxybenzamide) · ligand · chains B
  • GA · Gallium (III) ion · metal · chains B

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

Pockets

2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
17220.770.8267EB4, GA
21000.520.8216empty

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

  • 2KT4 · Lipocalin Q83 is a Siderocalin · the same entry in another collection · chain B against B, TM-score 1.00
  • Q9I9P7 · AlphaFold monomer V2.0 prediction for extracellular fatty acid- binding protein (Q9I9P7) · a predicted model of the same protein · chain B against A, TM-score 0.84

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