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MolNFT v1 · #56618 · protein + RNA

Structural basis for dsrna recognition by NS1 protein of human influenza virus a

2ZKO · Non-structural protein 1: “Structural basis for dsrna recognition by NS1 protein of human influenza virus a”. X-ray diffraction, 5 pockets (best druggability 0.81). MolNFT v1 #56618 on GenesisL1: 3D structure, binding sites and…

PDB
2ZKO
Type
protein + RNA
Length
182 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Non-structural protein 1; RNA (5'- R(P*AP*GP*AP*CP*AP*GP*CP*AP*UP*UP*AP*UP*GP*CP*UP*GP*UP*…
UniProt
P03496
Pockets
5 · best druggability 0.81

Structure

x-ray diffraction · 2 distinct chains · 84% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BNon-structural protein 1protein7084% helix, 0% strandP03496
C, DRNA (5'- R(P*AP*GP*AP*CP*AP*GP*CP*AP*UP*UP*AP*UP*GP*CP*UP*GP*UP*CP*UP*UP*U)- 3')rna21——

Ligands and binding sites

  • GOL · Glycerol · additive · 2 copies · chains A, B, D, C

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

5 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11750.810.9727GOL
2510.670.9712empty
3670.670.9416empty
45940.640.7627empty
5630.380.7815empty

Interfaces

6 interfaces between chains.

  • A–B · 1100 Ų buried · 18 hydrogen bonds · protein-protein
  • C–D · 946 Ų buried · 93 hydrogen bonds · nucleic-nucleic
  • A–C · 367 Ų buried · 2 hydrogen bonds · protein-nucleic
  • B–D · 362 Ų buried · 2 hydrogen bonds · protein-nucleic
  • A–D · 341 Ų buried · 8 hydrogen bonds · protein-nucleic

Compared structures

  • 2ZKO · Structural basis for dsRNA recognition by NS1 protein of human influenza virus A · the same entry in another collection · chain A against A, TM-score 1.00

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