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MolNFT v1 · #162094 · protein

4'-phosphopantetheinyl transferase pptab from mycobacterium abscessus at pH 8.5 with MG2+ and CoA.

6QYG · Possible 4'-phosphopantetheinyl transferase: “4'-phosphopantetheinyl transferase pptab from mycobacterium abscessus at pH 8.5 with MG2+ and CoA.”. X-ray diffraction, 2 ligands (COA, MG), 1 pocket (best druggability 0.57). MolNFT v1…

PDB
6QYG
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, MG
Pockets
1 · best druggability 0.57

Structure

x-ray diffraction · 1 distinct chain · 30% helix, 30% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APossible 4'-phosphopantetheinyl transferaseprotein21930% helix, 30% strandB1MD73

Ligands and binding sites

  • COA · Coenzyme A · ligand · chains A
  • MG · Magnesium ion · metal · 2 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
12950.570.7745COA, MG

Compared structures

  • 6QYG · 4'-phosphopantetheinyl transferase PptAb from Mycobacterium abscessus at pH 8.5 with Mg2+… · the same entry in another collection · chain A against A, TM-score 1.00

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