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Cryo-EM structure of Csm-crRNA-target RNA ternary complex in type III-A CRISPR-Cas system

Analyse Cryo-EM structure of Csm-crRNA-target RNA ternary complex in type III-A… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6MUR
Type
protein + RNA
Length
2,207 residues
Chains
8
Method
electron microscopy
Collection
MolNFT v2 / PDB Bank
Contract
0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner
0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution
3.1
Source
Thermococcus onnurineus; Thermococcus onnurineus (strain NA1); SYNTHETIC…
Molecule
Uncharacterized protein; Uncharacterized protein Csm3; RNA (27-mer); RNA…
UniProt
B6YWB8, B6YWB9, B6YWC0, B6YWC1, B6YWC2
Ligands
ZN
Pockets
20 · best druggability 0.87

Structure

electron microscopy · resolution 3.1 · 8 distinct chains · 34% helix, 18% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AUncharacterized proteinprotein77140% helix, 13% strandB6YWB8
BUncharacterized proteinprotein16267% helix, 0% strandB6YWB9
CUncharacterized protein Csm3protein27824% helix, 26% strandB6YWC0
DUncharacterized protein Csm3protein28722% helix, 26% strandB6YWC0
EUncharacterized proteinprotein28622% helix, 27% strandB6YWC1
GRNA (27-mer)rna27——
HRNA (5'-R(P*GP*CP*AP*AP*AP*CP*CP*GP*CP*CP*UP*CP*UP*GP*CP*CP*CP*GP*C)-3')rna19——
FUncharacterized proteinprotein37731% helix, 16% strandB6YWC2

Ligands and binding sites

  • ZN · Zinc ion · metal · 3 copies · chains A, C, D

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

Pockets

20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
17700.870.9094empty
22260.830.9637empty
34570.830.9060empty
43880.780.8839empty
5880.760.9826empty

Interfaces

24 interfaces between chains.

  • C–D · 2108 Ų buried · 29 hydrogen bonds · protein-protein
  • C–E · 1682 Ų buried · 24 hydrogen bonds · protein-protein
  • A–E · 1592 Ų buried · 17 hydrogen bonds · protein-protein
  • E–G · 1537 Ų buried · 34 hydrogen bonds · protein-nucleic
  • D–G · 1362 Ų buried · 29 hydrogen bonds · protein-nucleic

Compared structures

  • 6MUR · Cryo-EM structure of csm-crrna-target RNA ternary complex in type III- a CRISPR-CAS system · the same entry in another collection · chain H against H, TM-score 1.00
  • B6YWB8 · AlphaFold monomer V2.0 prediction for CRISPR system single-strand- specific… · a predicted model of the same protein · chain A against A, TM-score 0.98
  • B6YWC1 · AlphaFold monomer V2.0 prediction for CRISPR system cms protein CSM4 (B6YWC1) · a predicted model of the same protein · chain E against A, TM-score 0.96

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