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Crystal structure of fructuronate reductase (ydfi) from E. COLI CFT073 (efi target efi-506389) complexed with NADH and D-mannonate

Analyse Crystal structure of fructuronate reductase (ydfi) from E. COLI CFT073 (efi… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4IM7
Type
protein
Length
483 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Hypothetical oxidoreductase ydfi
EC
1.-.-.-
UniProt
Q8FHD0
Ligands
CS2, NAI, SO4
Pockets
3 · best druggability 0.76

Structure

x-ray diffraction · 1 distinct chain · 52% helix, 13% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AHypothetical oxidoreductase ydfi (EC 1.-.-.-)protein48352% helix, 13% strandQ8FHD0

Ligands and binding sites

  • CS2 · D-mannonic acid · ligand · chains A
  • NAI · 1,4-dihydronicotinamide adenine dinucleotide · ligand · chains A
  • SO4 · Sulfate ion · ion · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15570.760.8355CS2, NAI
21280.460.7827empty
3520.360.8014empty

Compared structures

  • 4IM7 · Crystal structure of fructuronate reductase (ydfI) from E. coli CFT073 (EFI TARGET… · the same entry in another collection · chain A against A, TM-score 1.00

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