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MolNFT v1 · #36475 · protein

Crystal structure of bifunctional coenzyme a synthase (CoA synthase): (18044849) from mus musculus at 1.70 a resolution

2F6R: “Crystal structure of bifunctional coenzyme a synthase (CoA synthase): (18044849) from mus musculus at 1.70 a…”. X-ray diffraction, 2 ligands (ACO, UNL), 2 pockets (best druggability 0.70). MolNFT v1 #36475 on GenesisL1: 3D…

PDB
2F6R
Type
protein
Length
230 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Bifunctional coenzyme a synthase
UniProt
Q9DBL7
Ligands
ACO, UNL
Pockets
2 · best druggability 0.70

Structure

x-ray diffraction · 1 distinct chain · 50% helix, 14% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ABifunctional coenzyme a synthaseprotein23050% helix, 14% strandQ9DBL7

Ligands and binding sites

  • ACO · Acetyl coenzyme *A · ligand · chains A
  • UNL · Unknown ligand · ligand · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15250.700.8044ACO
2590.310.7517empty

Compared structures

  • 2F6R · Crystal structure of Bifunctional coenzyme A synthase (CoA synthase): (18044849) from MUS… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9DBL7 · AlphaFold monomer V2.0 prediction for bifunctional coenzyme a synthase (Q9DBL7) · a predicted model of the same protein · chain A against A, TM-score 0.97

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