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Crystal structure of tim-barrel protein hisf-C9S

Analyse Crystal structure of tim-barrel protein hisf-C9S in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5TQL
Type
protein
Length
498 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Imidazole glycerol phosphate synthase subunit hisf
EC
4.1.3.-
UniProt
Q9X0C6
Ligands
PO4
Pockets
2 · best druggability 0.67

Structure

x-ray diffraction · 1 distinct chain · 39% helix, 26% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BImidazole glycerol phosphate synthase subunit hisf (EC 4.1.3.-)protein24939% helix, 26% strandQ9X0C6

Ligands and binding sites

  • PO4 · Phosphate ion · ion · 4 copies · chains A, 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
13590.670.8046PO4
24180.650.7946PO4

Interfaces

1 interface between chains.

  • A–B · 567 Ų buried · 6 hydrogen bonds · protein-protein

Compared structures

  • 5TQL · Crystal structure of TIM-Barrel protein HisF-C9S · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9X0C6 · AlphaFold monomer V2.0 prediction for imidazole glycerol phosphate synthase subunit hisf… · a predicted model of the same protein · chain A against A, TM-score 0.96

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