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MolNFT v1 · #154468 · protein

Fused to-MTBCSM1 with 2ATP

6KC0 · CRISPR system single-strand-specific deoxyribonuclease…: “Fused to-MTBCSM1 with 2ATP”. X-ray diffraction, 2 ligands (ATP, MG), 9 pockets (best druggability 0.81). MolNFT v1 #154468 on GenesisL1: 3D structure, binding sites and…

PDB
6KC0
Type
protein
Length
674 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
CRISPR system single-strand-specific deoxyribonuclease CAS10/CSM1 (subtype III-A),CRISPR…
EC
3.1.-.-, 2.7.7.-
UniProt
B6YWB8, P71629
Ligands
ATP, MG
Pockets
9 · best druggability 0.81

Structure

x-ray diffraction · 1 distinct chain · 51% helix, 15% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACRISPR system single-strand-specific deoxyribonuclease CAS10/CSM1 (subtype III-A),CRISPR system single-strand-specific deoxyribonuclease CAS10/CSM1 (subtype III-a) (EC 3.1.-.-, 2.7.7.-)protein67451% helix, 15% strandB6YWB8, P71629

Ligands and binding sites

  • ATP · Adenosine-5'-triphosphate · ligand · 2 copies · chains A
  • MG · Magnesium ion · metal · 3 copies · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16970.810.8571ATP, MG
21040.710.9319empty
31580.480.7722empty
41290.450.7616empty
5980.440.7820empty

Modifications

Observed in the structure: 3 covalent, 3 disulfide (covalent ligand, disulfide).

Compared structures

  • 6KC0 · fused To-MtbCsm1 with 2ATP · the same entry in another collection · chain A against A, 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 0.96
  • P71629 · AlphaFold monomer V2.0 prediction for CRISPR system single-strand- specific… · a predicted model of the same protein · chain A against A, TM-score 0.92

Analyse

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