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Crystal structure of the pumilio-nos-cyclinb RNA complex

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

PDB
5KL8
Type
protein + RNA
Length
389 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Maternal protein pumilio; Protein nanos; RNA (5'-R(*UP*AP*UP*UP*UP*GP*UP*AP*AP*UP*U)-3')
UniProt
P25822, P25724
Ligands
ZN
Pockets
5 · best druggability 0.80

Structure

x-ray diffraction · 3 distinct chains · 62% helix, 1% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AMaternal protein pumilioprotein30968% helix, 0% strandP25822
BProtein nanosprotein6935% helix, 3% strandP25724
CRNA (5'-R(*UP*AP*UP*UP*UP*GP*UP*AP*AP*UP*U)-3')rna11——

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

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11700.800.9527empty
21190.730.9321empty
32040.690.8625empty
42250.610.8130empty
5990.330.7312empty

Interfaces

3 interfaces between chains.

  • A–C · 1321 Ų buried · 43 hydrogen bonds · protein-nucleic
  • A–B · 688 Ų buried · 8 hydrogen bonds · protein-protein
  • B–C · 548 Ų buried · 9 hydrogen bonds · protein-nucleic

Compared structures

  • 5KL8 · Crystal structure of the Pumilio-Nos-CyclinB 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 0.96
  • P25724 · AlphaFold monomer V2.0 prediction for protein nanos (P25724) · a predicted model of the same protein · chain B against A, TM-score 0.95

Analyse

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