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MolNFT v1 · #106355 · protein + RNA

Crystal structure of porcine OAS1 in complex with dsrna

4RWP · 2'-5'-oligoadenylate synthase 1: “Crystal structure of porcine OAS1 in complex with dsrna”. X-ray diffraction, 2 pockets (best druggability 0.73). MolNFT v1 #106355 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
4RWP
Type
protein + RNA
Length
382 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
2'-5'-oligoadenylate synthase 1; RNA (5'- R(*GP*GP*CP*UP*UP*UP*UP*GP*AP*CP*CP*UP*UP*UP*AP*…
EC
2.7.7.84
UniProt
Q29599
Pockets
2 · best druggability 0.73

Structure

x-ray diffraction · 3 distinct chains · 49% helix, 12% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A2'-5'-oligoadenylate synthase 1 (EC 2.7.7.84)protein34649% helix, 12% strandQ29599
BRNA (5'- R(*GP*GP*CP*UP*UP*UP*UP*GP*AP*CP*CP*UP*UP*UP*AP*UP*GP*AP*A)-3')rna18——
CRNA (5'- R(*UP*UP*CP*AP*UP*AP*AP*AP*GP*GP*UP*CP*AP*AP*AP*AP*GP*CP*C)-3')rna18——

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110740.730.7740empty
26050.660.7657empty

Interfaces

3 interfaces between chains.

  • A–C · 934 Ų buried · 22 hydrogen bonds · protein-nucleic
  • B–C · 837 Ų buried · 71 hydrogen bonds · nucleic-nucleic
  • A–B · 710 Ų buried · 17 hydrogen bonds · protein-nucleic

Compared structures

  • 4RWP · Crystal structure of porcine OAS1 in complex with dsRNA · the same entry in another collection · chain A against A, TM-score 1.00
  • Q29599 · AlphaFold monomer V2.0 prediction for 2'-5'-oligoadenylate synthase 1 (Q29599) · a predicted model of the same protein · chain A against A, TM-score 0.91

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