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MDFA(Q131R/L339E)

Analyse MDFA(Q131R/L339E) in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6EUQ
Type
protein
Length
386 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Multidrug transporter mdfa
UniProt
P0AEY8
Ligands
BNG, DXC, PR
Pockets
1 · best druggability 0.82

Structure

x-ray diffraction · 1 distinct chain · 85% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AMultidrug transporter mdfaprotein38685% helix, 0% strandP0AEY8

Ligands and binding sites

  • BNG · nonyl beta-D-glucopyranoside · ligand · chains A
  • DXC · (3alpha,5beta,12alpha)-3,12-dihydroxycholan-24-oic acid · ligand · chains A
  • PR · Praseodymium ion · metal · 2 copies · chains A
  • PGE · Triethylene glycol · additive · 3 copies · chains A
  • OCT · N-octane · additive · 3 copies · chains A
  • HEX · Hexane · additive · chains A
  • ACT · Acetate ion · additive · chains A
  • PG4 · Tetraethylene glycol · 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
111180.820.8364DXC, PGE, ACT

Compared structures

  • 6EUQ · MdfA(Q131R/L339E) · the same entry in another collection · chain A against A, TM-score 1.00
  • P0AEY8 · AlphaFold monomer V2.0 prediction for multidrug transporter mdfa (P0AEY8) · a predicted model of the same protein · chain A against A, TM-score 0.99

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