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FABP5 in complex with 6-chloro-4-phenyl-2-piperidin-1-yl-3-(1H- tetrazol-5-yl)-quinoline

Analyse FABP5 in complex with 6-chloro-4-phenyl-2-piperidin-1-yl-3-(1H… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5HZ5
Type
protein
Length
134 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Fatty acid-binding protein, epidermal
UniProt
Q01469
Ligands
65X, SO4
Pockets
1 · best druggability 0.84

Structure

x-ray diffraction · 1 distinct chain · 15% helix, 58% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AFatty acid-binding protein, epidermalprotein13415% helix, 58% strandQ01469

Ligands and binding sites

  • 65X · 6-chloro-4-phenyl-2-(piperidin-1-yl)-3-(1H-tetrazol-5-yl)quinoline · ligand · chains A
  • SO4 · Sulfate ion · ion · chains A
  • DMS · Dimethyl sulfoxide · 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, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13100.840.943665X

Compared structures

  • 5HZ5 · FABP5 in complex with 6-Chloro-4-phenyl-2-piperidin-1-yl-3-(1H-tetrazol-5-yl)-quinoline · the same entry in another collection · chain A against A, TM-score 1.00
  • Q01469 · AlphaFold monomer V2.0 prediction for fatty acid-binding protein 5 (Q01469) · a predicted model of the same protein · chain A against A, TM-score 0.98

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