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4'-phosphopantetheinyl transferase pptab from mycobacterium abscessus at pH 5.5 with MN2+ and CoA.

Analyse 4'-phosphopantetheinyl transferase pptab from mycobacterium abscessus at pH 5.5… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6QWU
Type
protein
Length
219 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Possible 4'-phosphopantetheinyl transferase
UniProt
B1MD73
Ligands
COA, MN, NA
Pockets
1 · best druggability 0.56

Structure

x-ray diffraction · 1 distinct chain · 31% helix, 29% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APossible 4'-phosphopantetheinyl transferaseprotein21931% helix, 29% strandB1MD73

Ligands and binding sites

  • COA · Coenzyme A · ligand · chains A
  • MN · Manganese (II) ion · metal · 2 copies · chains A
  • NA · Sodium ion · metal · chains A
  • PEG · Di(hydroxyethyl)ether · additive · 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
12650.560.7740COA, MN, PEG

Compared structures

  • 6QWU · 4'-phosphopantetheinyl transferase PptAb from Mycobacterium abscessus at pH 5.5 with Mn2+… · the same entry in another collection · chain A against A, TM-score 1.00

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