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Room temperature X-ray mixed-metal structure of D-xylose isomerase in complex with NI(2+) and MG(2+) co-factors

Analyse Room temperature X-ray mixed-metal structure of D-xylose isomerase in complex… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3KBW
Type
protein
Length
388 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Xylose isomerase
EC
5.3.1.5
UniProt
P24300
Ligands
NI, MG
Pockets
4 · best druggability 0.72

Structure

x-ray diffraction · 1 distinct chain · 51% helix, 10% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AXylose isomerase (EC 5.3.1.5)protein38851% helix, 10% strandP24300

Ligands and binding sites

  • NI · Nickel (II) ion · metal · chains A
  • MG · Magnesium ion · metal · chains A

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

Pockets

4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1540.720.9923empty
24600.650.7746empty
3860.480.8214empty
4560.330.7712empty

Compared structures

  • 3KBW · Room temperature X-ray mixed-metal structure of D-Xylose Isomerase in complex with Ni(2+)… · the same entry in another collection · chain A against A, TM-score 1.00
  • P24300 · AlphaFold monomer V2.0 prediction for xylose isomerase (P24300) · a predicted model of the same protein · chain A against A, TM-score 1.00

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