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Transient state structure of CRISPR-Cpf1 (Cas12a) I5 conformation

Analyse Transient state structure of CRISPR-Cpf1 (Cas12a) I5 conformation in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6GTF
Type
protein + DNA + RNA
Length
1,346 residues
Chains
4
Method
electron microscopy
Collection
MolNFT v2 / PDB Bank
Contract
0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner
0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution
3.63
Source
Francisella tularensis subsp. novicida U112; SYNTHETIC CONSTRUCT
Molecule
CRISPR-associated endonuclease Cas12a; RNA (29-mer); DNA…
EC
3.1.21.1, 3.1.27.2
UniProt
A0Q7Q2
Pockets
20 · best druggability 0.82

Structure

electron microscopy · resolution 3.63 · 4 distinct chains · 28% helix, 7% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACRISPR-associated endonuclease Cas12a (EC 3.1.21.1, 3.1.27.2)protein128028% helix, 7% strandA0Q7Q2
BRNA (29-mer)rna29——
CDNA (5'-D(P*AP*TP*GP*AP*CP*TP*TP*CP*TP*CP*TP*AP*AP*CP*AP*AP*GP*CP*TP*CP*G)-3')dna21——
DDNA (5'-D(P*CP*GP*AP*GP*CP*TP*CP*GP*TP*TP*AP*GP*AP*GP*AP*A)-3')dna16——

Pockets

20 pockets found on a 1 Å grid, 10 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
111440.820.84113empty
2990.730.9423empty
35570.700.8080empty
41020.660.8925empty
51250.580.8425empty

Interfaces

5 interfaces between chains.

  • A–B · 3330 Ų buried · 67 hydrogen bonds · protein-nucleic
  • A–C · 1381 Ų buried · 20 hydrogen bonds · protein-nucleic
  • A–D · 1046 Ų buried · 8 hydrogen bonds · protein-nucleic
  • C–D · 527 Ų buried · 28 hydrogen bonds · nucleic-nucleic
  • B–C · 422 Ų buried · 33 hydrogen bonds · nucleic-nucleic

Compared structures

  • 6GTF · Transient state structure of CRISPR-CPF1 (CAS12A) I5 conformation · the same entry in another collection · chain A against A, TM-score 1.00
  • A0Q7Q2 · AlphaFold monomer V2.0 prediction for CRISPR-associated endonuclease CAS12A (A0Q7Q2) · a predicted model of the same protein · chain A against A, TM-score 0.87

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