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MolNFT v1 · #88364 · protein + RNA

Structural insights into toscana virus RNA encapsidation

4CSF · Nucleoprotein: “Structural insights into toscana virus RNA encapsidation”. X-ray diffraction, 20 pockets (best druggability 0.84). MolNFT v1 #88364 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
4CSF
Type
protein + RNA
Length
6,085 residues
Chains
36
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Nucleoprotein; RNA (5'-R(*UP*GP*UP*GP*UP*UP*UP*CP*UP)-3')
UniProt
P21701
Pockets
20 · best druggability 0.84

Structure

x-ray diffraction · 9 distinct chains · 69% helix, 2% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, D, F, G, H, I, J, N, P, Q, S, VNucleoproteinprotein24971% helix, 2% strandP21701
CNucleoproteinprotein25070% helix, 2% strandP21701
ENucleoproteinprotein24969% helix, 2% strandP21701
KNucleoproteinprotein25165% helix, 2% strandP21701
L, T, WNucleoproteinprotein25071% helix, 1% strandP21701
M, O, RNucleoproteinprotein24867% helix, 2% strandP21701
UNucleoproteinprotein24769% helix, 2% strandP21701
XNucleoproteinprotein24967% helix, 1% strandP21701
a, c, e, g, i, k, m, o, q, s, u, wRNA (5'-R(*UP*GP*UP*GP*UP*UP*UP*CP*UP)-3')rna9——

Pockets

20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110950.840.85113empty
210890.840.85111empty
310910.830.85112empty
410550.810.8293empty
510500.800.8189empty

Interfaces

82 interfaces between chains.

  • H–I · 2064 Ų buried · 22 hydrogen bonds · protein-protein
  • V–W · 2061 Ų buried · 25 hydrogen bonds · protein-protein
  • J–K · 2036 Ų buried · 21 hydrogen bonds · protein-protein
  • B–C · 2034 Ų buried · 22 hydrogen bonds · protein-protein
  • T–U · 2026 Ų buried · 24 hydrogen bonds · protein-protein

Compared structures

  • 4CSF · Structural insights into Toscana virus RNA encapsidation · the same entry in another collection · chain k against k, TM-score 1.00

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