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Crystal structure analysis of the membrane transporter fhac (double mutant V169T, I176N)

Analyse Crystal structure analysis of the membrane transporter fhac (double mutant… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4QL0
Type
protein
Length
520 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Filamentous hemagglutinin transporter protein fhac
UniProt
P35077
Ligands
PO4
Pockets
3 · best druggability 0.64

Structure

x-ray diffraction · 1 distinct chain · 15% helix, 53% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AFilamentous hemagglutinin transporter protein fhacprotein52015% helix, 53% strandP35077

Ligands and binding sites

  • PO4 · Phosphate ion · ion · chains A
  • BOG · octyl beta-D-glucopyranoside · additive · 3 copies · chains A
  • PGE · Triethylene glycol · additive · chains A
  • PEG · Di(hydroxyethyl)ether · additive · chains A
  • 1PE · Pentaethylene glycol · additive · chains A
  • PG4 · Tetraethylene glycol · additive · chains A
  • P6G · Hexaethylene glycol · additive · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14620.640.7756empty
25890.620.7477PGE, P6G
31230.400.7519PEG, 1PE

Compared structures

  • 4QL0 · Crystal Structure Analysis of the Membrane Transporter FhaC (double mutant V169T, I176N) · the same entry in another collection · chain A against A, TM-score 1.00
  • P35077 · AlphaFold monomer V2.0 prediction for filamentous hemagglutinin transporter protein fhac… · a predicted model of the same protein · chain A against A, TM-score 0.98

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