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Crystal structure of ribose-5-isomerase a from francisella tularensis

Analyse Crystal structure of ribose-5-isomerase a from francisella tularensis in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4IO1
Type
protein
Length
433 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Ribose-5-phosphate isomerase a
EC
5.3.1.6
UniProt
Q5NFM5
Ligands
CL, PO4, BR
Pockets
5 · best druggability 0.53

Structure

x-ray diffraction · 2 distinct chains · 35% helix, 28% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ARibose-5-phosphate isomerase a (EC 5.3.1.6)protein21834% helix, 27% strandQ5NFM5
BRibose-5-phosphate isomerase a (EC 5.3.1.6)protein21535% helix, 29% strandQ5NFM5

Ligands and binding sites

  • CL · Chloride ion · ion · 6 copies · chains A, B
  • PO4 · Phosphate ion · ion · 3 copies · chains A, B
  • BR · Bromide ion · ion · 2 copies · chains A, B
  • PG4 · Tetraethylene glycol · 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, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11030.530.8325empty
21060.470.7922empty
3550.390.8118CL, PO4
4610.360.7819empty
5600.350.7816PO4

Interfaces

1 interface between chains.

  • A–B · 1312 Ų buried · 11 hydrogen bonds · protein-protein

Compared structures

  • 4IO1 · Crystal structure of ribose-5-isomerase A from Francisella Tularensis · the same entry in another collection · chain A against A, TM-score 1.00
  • Q5NFM5 · AlphaFold monomer V2.0 prediction for ribose-5-phosphate isomerase a (Q5NFM5) · a predicted model of the same protein · chain A against A, TM-score 0.99

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