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MolNFT v1 · #111994 · protein + RNA

Crystal structure of CRISPR RNA processing endoribonuclease CAS6B

4Z7K: “Crystal structure of CRISPR RNA processing endoribonuclease CAS6B”. X-ray diffraction, 6 pockets (best druggability 0.74). MolNFT v1 #111994 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
4Z7K
Type
protein + RNA
Length
438 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
CAS6B; RNA/DNA hybrid (31-mer)
UniProt
A4FXZ3
Pockets
6 · best druggability 0.74

Structure

x-ray diffraction · 3 distinct chains · 27% helix, 35% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
BCAS6Bprotein19529% helix, 35% strandA4FXZ3
ACAS6Bprotein21825% helix, 35% strandA4FXZ3
CRNA/DNA hybrid (31-mer)rna25——

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16990.740.8064empty
23090.580.7733empty
3720.460.8113empty
4560.360.7912empty
5870.350.7515empty

Interfaces

3 interfaces between chains.

  • A–C · 1867 Ų buried · 50 hydrogen bonds · protein-nucleic
  • B–C · 965 Ų buried · 22 hydrogen bonds · protein-nucleic
  • B–A · 235 Ų buried · 1 hydrogen bond · protein-protein

Compared structures

  • 4Z7K · Crystal structure of CRISPR RNA processing endoribonuclease Cas6b · the same entry in another collection · chain B against B, TM-score 1.00

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