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Structure of human dicer platform-paz-connector helix cassette in complex with 12-mer siRNA having 5'-P and uu-3' ends (1.95 ångström resolution)

Analyse Structure of human dicer platform-paz-connector helix cassette in complex with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4NGD
Type
protein + RNA
Length
292 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Endoribonuclease dicer; 5'-R(P*GP*CP*GP*AP*AP*UP*UP*CP*GP*CP*UP*U)-3'
EC
3.1.26.-
UniProt
Q9UPY3
Ligands
SO4
Pockets
4 · best druggability 0.74

Structure

x-ray diffraction · 2 distinct chains · 28% helix, 26% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AEndoribonuclease dicer (EC 3.1.26.-)protein28028% helix, 26% strandQ9UPY3
B5'-R(P*GP*CP*GP*AP*AP*UP*UP*CP*GP*CP*UP*U)-3'rna12——

Ligands and binding sites

  • SO4 · Sulfate ion · ion · 2 copies · chains A
  • PEG · Di(hydroxyethyl)ether · additive · 2 copies · chains A, 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, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14600.740.8363SO4
21290.510.8022empty
31350.380.7316empty
4690.320.7517empty

Interfaces

1 interface between chains.

  • A–B · 551 Ų buried · 17 hydrogen bonds · protein-nucleic

Compared structures

  • 4NGD · Structure of human Dicer Platform-PAZ-Connector Helix cassette in complex with 12-mer… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9UPY3 · AlphaFold monomer V2.0 prediction for endoribonuclease dicer (Q9UPY3) · a predicted model of the same protein · chain A against A, TM-score 0.91

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