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MolNFT v1 · #128816 · protein + RNA

Structure of NRD1 RNA binding domain in complex with RNA (guaa)

5O1Y · Protein NRD1: “Structure of NRD1 RNA binding domain in complex with RNA (guaa)”. X-ray diffraction, 1 pocket (best druggability 0.38). MolNFT v1 #128816 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
5O1Y
Type
protein + RNA
Length
167 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Protein NRD1; RNA (5'-R(*GP*UP*AP*A)-3')
UniProt
P53617
Pockets
1 · best druggability 0.38

Structure

x-ray diffraction · 2 distinct chains · 20% helix, 26% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AProtein NRD1protein16320% helix, 26% strandP53617
BRNA (5'-R(*GP*UP*AP*A)-3')rna4——

Ligands and binding sites

  • EDO · 1,2-ethanediol · additive · 2 copies · chains A, B
  • TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · 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, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1720.380.7817empty

Interfaces

1 interface between chains.

  • A–B · 581 Ų buried · 9 hydrogen bonds · protein-nucleic

Compared structures

  • 5O1Y · Structure of Nrd1 RNA binding domain in complex with RNA (GUAA) · the same entry in another collection · chain A against A, TM-score 1.00
  • P53617 · AlphaFold monomer V2.0 prediction for protein NRD1 (P53617) · a predicted model of the same protein · chain A against A, TM-score 0.99

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