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MolNFT v1 · #154528 · protein

Crystal structure of TTCAS1

6KE1 · CRISPR-associated endonuclease CAS1 2: “Crystal structure of TTCAS1”. X-ray diffraction, 8 pockets (best druggability 0.82). MolNFT v1 #154528 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
6KE1
Type
protein
Length
515 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
CRISPR-associated endonuclease CAS1 2
EC
3.1.-.-
UniProt
Q53WG8
Pockets
8 · best druggability 0.82

Structure

x-ray diffraction · 2 distinct chains · 50% helix, 14% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACRISPR-associated endonuclease CAS1 2 (EC 3.1.-.-)protein26048% helix, 13% strandQ53WG8
BCRISPR-associated endonuclease CAS1 2 (EC 3.1.-.-)protein25551% helix, 15% strandQ53WG8

Pockets

8 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11670.820.9726empty
2880.660.9117empty
32790.510.7443empty
4620.420.8216empty
5740.420.7915empty

Interfaces

1 interface between chains.

  • A–B · 1958 Ų buried · 22 hydrogen bonds · protein-protein

Compared structures

  • 6KE1 · Crystal structure of TtCas1 · the same entry in another collection · chain A against A, TM-score 1.00
  • Q53WG8 · AlphaFold monomer V2.0 prediction for CRISPR-associated endonuclease CAS1 2 (Q53WG8) · a predicted model of the same protein · chain B against A, TM-score 0.97

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