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Crystal structure of human nudix motif 16 (NUDT16) in complex with imp and magnesium

Analyse Crystal structure of human nudix motif 16 (NUDT16) in complex with imp and… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2XSQ
Type
protein
Length
179 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
U8 snorna-decapping enzyme
EC
3.6.1.-
UniProt
Q96DE0
Ligands
IMP, MG, CL
Pockets
1 · best druggability 0.54

Structure

x-ray diffraction · 1 distinct chain · 30% helix, 34% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AU8 snorna-decapping enzyme (EC 3.6.1.-)protein17930% helix, 34% strandQ96DE0

Ligands and binding sites

  • IMP · Inosinic acid · ligand · chains A
  • MG · Magnesium ion · metal · 2 copies · chains A
  • CL · Chloride ion · ion · 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, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12340.540.7730IMP, MG

Compared structures

  • 2XSQ · Crystal structure of human Nudix motif 16 (NUDT16) in complex with IMP and magnesium · the same entry in another collection · chain A against A, TM-score 1.00
  • Q96DE0 · AlphaFold monomer V2.0 prediction for U8 snorna-decapping enzyme (Q96DE0) · a predicted model of the same protein · chain A against A, TM-score 0.99

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