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MolNFT v1 · #64676 · protein

Structure of a F112H variant pduo-type ATP:CORRINOID adenosyltransferase from lactobacillus reuteri complexed with cobalamin and ATP

3GAH · Cobalamin adenosyltransferase pduo-like protein: “Structure of a F112H variant pduo-type ATP:CORRINOID adenosyltransferase from lactobacillus reuteri complexed…”. X-ray diffraction, 4 ligands (ATP, B12, MG), 1 pocket (best…

PDB
3GAH
Type
protein
Length
186 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Cobalamin adenosyltransferase pduo-like protein
EC
2.5.1.17
UniProt
Q50EJ2
Ligands
ATP, B12, MG, K
Pockets
1 · best druggability 0.33

Structure

x-ray diffraction · 1 distinct chain · 59% helix, 4% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACobalamin adenosyltransferase pduo-like protein (EC 2.5.1.17)protein18659% helix, 4% strandQ50EJ2

Ligands and binding sites

  • ATP · Adenosine-5'-triphosphate · ligand · chains A
  • B12 · Cobalamin · ligand · chains A
  • MG · Magnesium ion · metal · 2 copies · chains A
  • K · Potassium ion · metal · 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, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1500.330.7813empty

Compared structures

  • 3GAH · Structure of a F112H variant PduO-type ATP:corrinoid adenosyltransferase from… · the same entry in another collection · chain A against A, TM-score 1.00

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