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Structure of the Y21F variant of quinolinate synthase in complex with pgh

Analyse Structure of the Y21F variant of quinolinate synthase in complex with pgh in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6F4D
Type
protein
Length
304 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Quinolinate synthase a
EC
2.5.1.72
UniProt
Q9X1X7
Ligands
SF4, PGH, PO4, CL
Pockets
1 · best druggability 0.74

Structure

x-ray diffraction · 1 distinct chain · 47% helix, 16% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AQuinolinate synthase a (EC 2.5.1.72)protein30447% helix, 16% strandQ9X1X7

Ligands and binding sites

  • SF4 · Iron/sulfur cluster · ligand · chains A
  • PGH · Phosphoglycolohydroxamic acid · ligand · chains A
  • PO4 · Phosphate ion · ion · 2 copies · 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
11300.740.9336SF4, PGH, PO4

Compared structures

  • 6F4D · Structure of the Y21F variant of quinolinate synthase in complex with PGH · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9X1X7 · AlphaFold monomer V2.0 prediction for quinolinate synthase a (Q9X1X7) · a predicted model of the same protein · chain A against A, TM-score 0.98

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