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Crystal structure of CAS6 with its substrate RNA

Analyse Crystal structure of CAS6 with its substrate RNA in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3PKM
Type
protein + RNA
Length
480 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
CAS6 protein; 5'-R(*AP*UP*UP*AP*CP*AP*AP*UP*AP*A)-3'
UniProt
Q8U1S4
Pockets
4 · best druggability 0.70

Structure

x-ray diffraction · 3 distinct chains · 26% helix, 30% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACAS6 proteinprotein22925% helix, 30% strandQ8U1S4
XCAS6 proteinprotein23327% helix, 30% strandQ8U1S4
G, R5'-R(*AP*UP*UP*AP*CP*AP*AP*UP*AP*A)-3'rna9——

Pockets

4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15780.700.7947empty
2770.520.8417empty
3620.450.8319empty
41290.390.7421empty

Interfaces

3 interfaces between chains.

  • X–R · 1161 Ų buried · 28 hydrogen bonds · protein-nucleic
  • A–G · 1131 Ų buried · 16 hydrogen bonds · protein-nucleic
  • A–X · 603 Ų buried · 6 hydrogen bonds · protein-protein

Compared structures

  • 3PKM · Crystal structure of Cas6 with its substrate RNA · the same entry in another collection · chain A against A, TM-score 1.00
  • Q8U1S4 · AlphaFold monomer V2.0 prediction for CRISPR-associated endoribonuclease CAS6 (Q8U1S4) · a predicted model of the same protein · chain A against A, TM-score 0.95

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