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Structure of chicken LGP2 witha 5'P 10-mer dsrna and ADP-ALF4-mg.

Analyse Structure of chicken LGP2 witha 5'P 10-mer dsrna and ADP-ALF4-mg. in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5JAJ
Type
protein + RNA
Length
674 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
LGP2; RNA (5'-R(P*GP*GP*UP*AP*CP*GP*UP*AP*CP*CP*C)-3'); RNA…
UniProt
G0YYQ5
Ligands
ADP, ALF, MGF, ZN, MG
Pockets
9 · best druggability 0.86

Structure

x-ray diffraction · 3 distinct chains · 47% helix, 18% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ALGP2protein65347% helix, 18% strandG0YYQ5
XRNA (5'-R(P*GP*GP*UP*AP*CP*GP*UP*AP*CP*CP*C)-3')rna11——
YRNA (5'-R(P*GP*GP*UP*AP*CP*GP*UP*AP*CP*C)-3')rna10——

Ligands and binding sites

  • ADP · Adenosine-5'-diphosphate · ligand · chains A
  • ALF · Tetrafluoroaluminate ion · ligand · chains A
  • MGF · Trifluoromagnesate · ligand · chains A, X, Y
  • ZN · Zinc ion · metal · chains A
  • MG · Magnesium ion · metal · chains A
  • EDO · 1,2-ethanediol · additive · 3 copies · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110680.860.87111MGF
29280.810.8461empty
32050.670.8626empty
41330.560.8328ADP, ALF, MG, EDO
51090.470.8019empty

Interfaces

3 interfaces between chains.

  • A–Y · 1260 Ų buried · 41 hydrogen bonds · protein-nucleic
  • A–X · 1184 Ų buried · 24 hydrogen bonds · protein-nucleic
  • X–Y · 491 Ų buried · 41 hydrogen bonds · nucleic-nucleic

Compared structures

  • 5JAJ · Structure of chicken LGP2 witha 5'p 10-mer dsRNA and ADP-AlF4-Mg. · the same entry in another collection · chain A against A, TM-score 1.00

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