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MolNFT v1 · #157337 · protein

Structure of a bacterial ALDH16

6MVR · Aldehyde dehydrogenase: “Structure of a bacterial ALDH16”. X-ray diffraction, 1 ligand (SO4), 5 pockets (best druggability 0.78). MolNFT v1 #157337 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
6MVR
Type
protein
Length
750 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Aldehyde dehydrogenase
UniProt
A0A0Q3EUQ3
Ligands
SO4
Pockets
5 · best druggability 0.78

Structure

x-ray diffraction · 1 distinct chain · 42% helix, 20% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AAldehyde dehydrogenaseprotein75042% helix, 20% strandA0A0Q3EUQ3

Ligands and binding sites

  • SO4 · Sulfate ion · ion · 3 copies · chains A
  • GOL · Glycerol · additive · chains A

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

Pockets

5 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19130.780.8069SO4
23910.610.7756empty
32510.610.8033empty
42330.540.7729empty
5860.450.8019empty

Compared structures

  • 6MVR · Structure of a bacterial ALDH16 · the same entry in another collection · chain A against A, TM-score 1.00

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