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MolNFT v1 · #127294 · protein + RNA

MS2 protein CAPSID/RNA complex

5MSF: “MS2 protein CAPSID/RNA complex”. X-ray diffraction, 6 pockets (best druggability 0.77). MolNFT v1 #127294 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
5MSF
Type
protein + RNA
Length
421 residues
Chains
5
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
MS2 protein capsid; 5'- R(*CP*CP*GP*GP*AP*GP*GP*AP*UP*CP*AP*CP*CP*AP*CP*GP*GP*G)- 3'
UniProt
P03612
Pockets
6 · best druggability 0.77

Structure

x-ray diffraction · 3 distinct chains · 19% helix, 47% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, CMS2 protein capsidprotein12919% helix, 47% strandP03612
R5'- R(*CP*CP*GP*GP*AP*GP*GP*AP*UP*CP*AP*CP*CP*AP*CP*GP*GP*G)- 3'rna18——
S5'- R(*CP*CP*GP*GP*AP*GP*GP*AP*UP*CP*AP*CP*CP*AP*CP*GP*GP*G)- 3'rna16——

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110930.770.79130empty
25600.630.7657empty
33280.540.7523empty
42030.480.7627empty
5550.470.8518empty

Interfaces

5 interfaces between chains.

  • B–C · 566 Ų buried · 11 hydrogen bonds · protein-protein
  • A–B · 555 Ų buried · 6 hydrogen bonds · protein-protein
  • A–C · 528 Ų buried · 6 hydrogen bonds · protein-protein
  • A–R · 434 Ų buried · 16 hydrogen bonds · protein-nucleic
  • C–S · 413 Ų buried · 12 hydrogen bonds · protein-nucleic

Compared structures

  • 5MSF · MS2 protein CAPSID/RNA complex · the same entry in another collection · chain R against R, TM-score 1.00

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