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Crystal structure of human roquin-2 roq domain in complex with roquin cde RNA

Analyse Crystal structure of human roquin-2 roq domain in complex with roquin cde RNA in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4ZLD
Type
protein + RNA
Length
168 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Roquin-2; RNA (5'- R(*UP*AP*AP*CP*UP*UP*CP*UP*GP*UP*GP*AP*AP*GP*UP*UP*G)-3')
UniProt
Q9HBD1
Pockets
1 · best druggability 0.64

Structure

x-ray diffraction · 2 distinct chains · 62% helix, 10% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ARoquin-2protein15162% helix, 10% strandQ9HBD1
BRNA (5'- R(*UP*AP*AP*CP*UP*UP*CP*UP*GP*UP*GP*AP*AP*GP*UP*UP*G)-3')rna17——

Ligands and binding sites

  • GOL · Glycerol · additive · 4 copies · chains A, B

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
12670.640.8228empty

Interfaces

1 interface between chains.

  • A–B · 956 Ų buried · 31 hydrogen bonds · protein-nucleic

Compared structures

  • 4ZLD · Crystal structure of human Roquin-2 ROQ domain in complex with Roquin CDE RNA · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9HBD1 · AlphaFold monomer V2.0 prediction for roquin-2 (Q9HBD1) · a predicted model of the same protein · chain A against A, TM-score 0.98

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