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MolNFT v1 · #500 · protein

Dethiobiotin synthetase from escherichia COLI, complex with substrates ATP and diaminopelargonic acid

1A82: “Dethiobiotin synthetase from escherichia COLI, complex with substrates ATP and diaminopelargonic acid”. X-ray diffraction, 3 ligands (DNN, ATP, MG), 1 pocket (best druggability 0.47). MolNFT v1 #500 on GenesisL1: 3D structure…

PDB
1A82
Type
protein
Length
224 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Dethiobiotin synthetase
EC
6.3.3.3
UniProt
P13000
Ligands
DNN, ATP, MG
Pockets
1 · best druggability 0.47

Structure

x-ray diffraction · 1 distinct chain · 39% helix, 21% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ADethiobiotin synthetase (EC 6.3.3.3)protein22439% helix, 21% strandP13000

Ligands and binding sites

  • DNN · 7,8-diamino-nonanoic acid · ligand · chains A
  • ATP · Adenosine-5'-triphosphate · ligand · chains A
  • MG · Magnesium 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
11830.470.7636DNN, ATP

Compared structures

  • 1A82 · Dethiobiotin synthetase from escherichia COLI, complex with substrates ATP and… · the same entry in another collection · chain A against A, TM-score 1.00
  • P13000 · AlphaFold monomer V2.0 prediction for ATP-dependent dethiobiotin synthetase biod 1… · a predicted model of the same protein · chain A against A, TM-score 0.99

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