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The crystal structure of phosphopantetheine adenylyltransferase from thermus thermophilus in complex with 4'-phosphopantetheine

Analyse The crystal structure of phosphopantetheine adenylyltransferase from thermus… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1OD6
Type
protein
Length
155 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Phosphopantetheine adenylyltransferase
EC
2.7.7.3
UniProt
Q5SJS9
Ligands
PNS, SO4
Pockets
1 · best druggability 0.60

Structure

x-ray diffraction · 1 distinct chain · 43% helix, 20% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APhosphopantetheine adenylyltransferase (EC 2.7.7.3)protein15543% helix, 20% strandQ5SJS9

Ligands and binding sites

  • PNS · 4'-phosphopantetheine · ligand · chains A
  • SO4 · Sulfate ion · ion · 3 copies · 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
13090.600.7839PNS, SO4

Compared structures

  • 1OD6 · The Crystal Structure of Phosphopantetheine adenylyltransferase from Thermus Thermophilus… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q5SJS9 · AlphaFold monomer V2.0 prediction for phosphopantetheine adenylyltransferase (Q5SJS9) · a predicted model of the same protein · chain A against A, TM-score 0.98

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