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Ribb from vibrio cholera bound with intermediate 2 in the reaction cycle and the products dhbp and formate

Analyse Ribb from vibrio cholera bound with intermediate 2 in the reaction cycle and… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7UF5
Type
protein
Length
208 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
3,4-dihydroxy-2-butanone 4-phosphate synthase
EC
4.1.99.12
UniProt
A0A0H6NPW4
Ligands
N52, N4O, MN
Pockets
1 · best druggability 0.38

Structure

x-ray diffraction · 1 distinct chain · 41% helix, 21% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A3,4-dihydroxy-2-butanone 4-phosphate synthase (EC 4.1.99.12)protein20841% helix, 21% strandA0A0H6NPW4

Ligands and binding sites

  • N52 · (2R)-2-(dihydroxymethyl)-2-hydroxy-3-oxobutyl dihydrogen phosphate · ligand · chains A
  • N4O · (2R)-2-hydroxy-3-oxobutyl dihydrogen phosphate · ligand · chains A
  • MN · Manganese (II) ion · metal · chains A
  • FMT · Formic acid · additive · 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
1730.380.7819N52, N4O, MN

Modifications

Observed in the structure: 1 covalent (additive adduct).

Compared structures

  • 7UF5 · RibB from Vibrio cholera bound with intermediate 2 in the reaction cycle and the products… · the same entry in another collection · chain A against A, TM-score 1.00

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