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MS2-RNA hairpin (2ONE -5) complex

Analyse MS2-RNA hairpin (2ONE -5) complex in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2C4Q
Type
protein + RNA
Length
421 residues
Chains
5
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Coat protein; 5'-R(*AP*CP*AP*UP*GP*AP*GP*GP*AP*UP *PYO*AP*CP*CP*CP*AP*UP*GP*U)-3'
UniProt
P03612
Pockets
5 · best druggability 0.71

Structure

x-ray diffraction · 2 distinct chains · 19% helix, 46% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, CCoat proteinprotein12919% helix, 46% strandP03612
R, S5'-R(*AP*CP*AP*UP*GP*AP*GP*GP*AP*UP *PYO*AP*CP*CP*CP*AP*UP*GP*U)-3'rna17——

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14920.710.8142empty
24750.630.7649empty
33930.610.7740empty
43380.500.7322empty
5760.310.7416empty

Interfaces

6 interfaces between chains.

  • A–B · 3336 Ų buried · 44 hydrogen bonds · protein-protein
  • A–C · 524 Ų buried · 5 hydrogen bonds · protein-protein
  • C–S · 472 Ų buried · 11 hydrogen bonds · protein-nucleic
  • B–R · 454 Ų buried · 15 hydrogen bonds · protein-nucleic
  • A–R · 425 Ų buried · 12 hydrogen bonds · protein-nucleic

Modifications

Observed in the structure: 2 modified (nucleotide modification).

Compared structures

  • 2C4Q · MS2-RNA hairpin (2ONE -5) complex · the same entry in another collection · chain A against A, TM-score 1.00

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