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MolNFT v1 · #104106 · protein

Crystal structure of acinetobacter sp. DL28 L-ribose isomerase in complex with L-ribulose

4Q0Q: “Crystal structure of acinetobacter sp. DL28 L-ribose isomerase in complex with L-ribulose”. X-ray diffraction, 4 ligands (RUU, QDK, NCO), 3 pockets (best druggability 0.70). MolNFT v1 #104106 on GenesisL1: 3D structure, binding…

PDB
4Q0Q
Type
protein
Length
249 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
L-ribose isomerase
EC
5.3.1.-
UniProt
Q93UQ5
Ligands
RUU, QDK, NCO, CO
Pockets
3 · best druggability 0.70

Structure

x-ray diffraction · 1 distinct chain · 22% helix, 27% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AL-ribose isomerase (EC 5.3.1.-)protein24922% helix, 27% strandQ93UQ5

Ligands and binding sites

  • RUU · alpha-L-ribulofuranose · ligand · 7 copies · chains A
  • QDK · L-ribulose · ligand · chains A
  • NCO · Cobalt hexammine(iii) · ligand · chains A
  • CO · Cobalt (II) ion · metal · 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
12940.700.8446RUU, QDK
2650.310.7513empty
3850.310.7316empty

Compared structures

  • 4Q0Q · Crystal structure of Acinetobacter sp. DL28 L-ribose isomerase in complex with L-ribulose · the same entry in another collection · chain A against A, TM-score 1.00

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