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Crystal structure of S. pombe RAI1 in complex with 3'-fadp

Analyse Crystal structure of S. pombe RAI1 in complex with 3'-fadp in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6WUG
Type
protein
Length
312 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Decapping nuclease DIN1
EC
3.6.1.-
UniProt
O13836
Ligands
UBG, MG
Pockets
2 · best druggability 0.76

Structure

x-ray diffraction · 1 distinct chain · 26% helix, 30% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ADecapping nuclease DIN1 (EC 3.6.1.-)protein31226% helix, 30% strandO13836

Ligands and binding sites

  • UBG · [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (2R,3S,4S)-5-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-2,3,4-trihydroxypentyl dihydrogen diphosphate (non-preferred name) · ligand · chains A
  • MG · Magnesium ion · metal · 2 copies · chains A
  • EDO · 1,2-ethanediol · additive · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110950.760.7872MG, UBG
2840.370.7623EDO

Compared structures

  • 6WUG · Crystal Structure of S. pombe Rai1 in complex with 3'-FADP · the same entry in another collection · chain A against A, TM-score 1.00
  • O13836 · AlphaFold monomer V2.0 prediction for decapping nuclease DIN1 (O13836) · a predicted model of the same protein · chain A against A, TM-score 0.99

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