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MolNFT v1 · #138767 · protein

Crystal structure of an endonuclease

5WTJ · CRISPR-associated endoribonuclease C2C2: “Crystal structure of an endonuclease”. X-ray diffraction, 20 pockets (best druggability 0.82). MolNFT v1 #138767 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
5WTJ
Type
protein
Length
2,031 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
CRISPR-associated endoribonuclease C2C2
EC
3.1.-.-
UniProt
P0DOC6
Pockets
20 · best druggability 0.82

Structure

x-ray diffraction · 2 distinct chains · 54% helix, 1% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACRISPR-associated endoribonuclease C2C2 (EC 3.1.-.-)protein101953% helix, 2% strandP0DOC6
BCRISPR-associated endoribonuclease C2C2 (EC 3.1.-.-)protein101256% helix, 1% strandP0DOC6

Pockets

20 pockets found on a 1 Å grid, 15 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110340.820.8396empty
28080.800.8368empty
37540.780.8262empty
411670.770.79104empty
58610.730.7773empty

Interfaces

1 interface between chains.

  • A–B · 198 Ų buried · 3 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 21 modified (engineered).

Compared structures

  • 5WTJ · Crystal structure of an endonuclease · the same entry in another collection · chain A against A, TM-score 1.00
  • P0DOC6 · AlphaFold monomer V2.0 prediction for CRISPR-associated endoribonuclease CAS13A (P0DOC6) · a predicted model of the same protein · chain A against A, TM-score 0.81

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