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MolNFT v1 · #72944 · protein + RNA

Crystal structure of the CUGBP1 RRM1 with guuguuuuguuu RNA

3NNH · Cugbp elav-like family member 1: “Crystal structure of the CUGBP1 RRM1 with guuguuuuguuu RNA”. X-ray diffraction, 3 pockets (best druggability 0.71). MolNFT v1 #72944 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
3NNH
Type
protein + RNA
Length
364 residues
Chains
6
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Cugbp elav-like family member 1; RNA (5'-R(*GP*UP*UP*GP*UP*UP*UP*UP*GP*UP*UP*U)-3')
UniProt
Q92879
Pockets
3 · best druggability 0.71

Structure

x-ray diffraction · 5 distinct chains · 23% helix, 33% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BCugbp elav-like family member 1protein8622% helix, 34% strandQ92879
CCugbp elav-like family member 1protein8522% helix, 34% strandQ92879
ERNA (5'-R(*GP*UP*UP*GP*UP*UP*UP*UP*GP*UP*UP*U)-3')rna10——
DCugbp elav-like family member 1protein8725% helix, 32% strandQ92879
FRNA (5'-R(*GP*UP*UP*GP*UP*UP*UP*UP*GP*UP*UP*U)-3')rna10——

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
17190.710.7851empty
21280.480.7926empty
3540.320.7712empty

Interfaces

9 interfaces between chains.

  • A–E · 712 Ų buried · 16 hydrogen bonds · protein-nucleic
  • D–F · 572 Ų buried · 13 hydrogen bonds · protein-nucleic
  • C–E · 504 Ų buried · 10 hydrogen bonds · protein-nucleic
  • B–F · 425 Ų buried · 13 hydrogen bonds · protein-nucleic
  • C–B · 248 Ų buried · 1 hydrogen bond · protein-protein

Compared structures

  • 3NNH · Crystal Structure of the CUGBP1 RRM1 with GUUGUUUUGUUU RNA · the same entry in another collection · chain F against F, TM-score 1.00
  • Q92879 · AlphaFold monomer V2.0 prediction for cugbp elav-like family member 1 (Q92879) · a predicted model of the same protein · chain B against A, TM-score 0.98

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