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Crystal structure of the pumilio-nos-hunchback RNA complex

Analyse Crystal structure of the pumilio-nos-hunchback RNA complex in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5KL1
Type
protein + RNA
Length
410 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Maternal protein pumilio; Protein nanos; RNA (5'-R(*AP*AP*AP*UP*UP*GP*UP*AP*CP*AP*UP*A)-3'…
UniProt
P25822, P25724
Ligands
ZN
Pockets
4 · best druggability 0.79

Structure

x-ray diffraction · 3 distinct chains · 60% helix, 1% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AMaternal protein pumilioprotein32866% helix, 0% strandP25822
BProtein nanosprotein7031% helix, 3% strandP25724
CRNA (5'-R(*AP*AP*AP*UP*UP*GP*UP*AP*CP*AP*UP*A)-3')rna12——

Ligands and binding sites

  • ZN · Zinc ion · metal · 2 copies · chains B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11570.790.9525empty
2870.700.9418empty
31360.670.8823empty
4690.290.7415empty

Interfaces

3 interfaces between chains.

  • A–C · 1432 Ų buried · 40 hydrogen bonds · protein-nucleic
  • A–B · 648 Ų buried · 9 hydrogen bonds · protein-protein
  • B–C · 545 Ų buried · 12 hydrogen bonds · protein-nucleic

Compared structures

  • 5KL1 · Crystal structure of the Pumilio-Nos-hunchback RNA complex · the same entry in another collection · chain A against A, TM-score 1.00
  • P25822 · AlphaFold monomer V2.0 prediction for maternal protein pumilio (P25822) · a predicted model of the same protein · chain A against A, TM-score 0.98
  • P25724 · AlphaFold monomer V2.0 prediction for protein nanos (P25724) · a predicted model of the same protein · chain B against A, TM-score 0.94

Analyse

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