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PUF3 RNA binding domain bound to COX17 RNA 3' utr recognition sequence site B

Analyse PUF3 RNA binding domain bound to COX17 RNA 3' utr recognition sequence site B in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3K49
Type
protein + RNA
Length
1,089 residues
Chains
6
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
MRNA-binding protein PUF3; RNA (5'-R(*CP*CP*UP*GP*UP*AP*AP*AP*UP*A)-3')
UniProt
Q07807
Pockets
12 · best druggability 0.64

Structure

x-ray diffraction · 2 distinct chains · 72% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, C, EMRNA-binding protein PUF3protein35372% helix, 0% strandQ07807
B, D, FRNA (5'-R(*CP*CP*UP*GP*UP*AP*AP*AP*UP*A)-3')rna10——

Ligands and binding sites

  • CIT · Citric acid · additive · 3 copies · chains A, B, C, D, E, F

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14600.640.7755empty
24280.620.7745empty
33350.600.7831empty
41280.370.7319empty
5750.350.7615empty

Interfaces

9 interfaces between chains.

  • C–D · 1562 Ų buried · 62 hydrogen bonds · protein-nucleic
  • A–B · 1559 Ų buried · 60 hydrogen bonds · protein-nucleic
  • E–F · 1553 Ų buried · 55 hydrogen bonds · protein-nucleic
  • A–C · 309 Ų buried · 2 hydrogen bonds · protein-protein
  • C–E · 296 Ų buried · 2 hydrogen bonds · protein-protein

Compared structures

  • 3K49 · Puf3 RNA binding domain bound to Cox17 RNA 3' UTR recognition sequence site B · the same entry in another collection · chain C against C, TM-score 1.00
  • Q07807 · AlphaFold monomer V2.0 prediction for mRNA-binding protein PUF3 (Q07807) · a predicted model of the same protein · chain A against A, TM-score 0.99

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