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Crystal structure of the complex of phosphopantetheine adenylyltransferase from acinetobacter baumannii with pyrophosphate at 2.30A resolution

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

PDB
6J3M
Type
protein
Length
163 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Phosphopantetheine adenylyltransferase
EC
2.7.7.3
UniProt
A0A059ZFC5
Ligands
POP, CL, SO4
Pockets
1 · best druggability 0.62

Structure

x-ray diffraction · 1 distinct chain · 44% helix, 17% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APhosphopantetheine adenylyltransferase (EC 2.7.7.3)protein16344% helix, 17% strandA0A059ZFC5

Ligands and binding sites

  • POP · Pyrophosphate 2- · ligand · chains A
  • CL · Chloride ion · ion · 2 copies · chains A
  • SO4 · Sulfate 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
13310.620.7840POP, CL

Compared structures

  • 6J3M · Crystal structure of the complex of Phosphopantetheine adenylyltransferase from… · the same entry in another collection · chain A against A, TM-score 1.00

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