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MolNFT v1 · #156523 · protein

Crystal structure the toxin-antitoxin mnta-hpet mutant-Y104A

6M6W · Toxin-antitoxin system antidote mnt family: “Crystal structure the toxin-antitoxin mnta-hpet mutant-Y104A”. X-ray diffraction, 15 pockets (best druggability 0.80). MolNFT v1 #156523 on GenesisL1: 3D structure, binding sites and…

PDB
6M6W
Type
protein
Length
1,020 residues
Chains
8
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Toxin-antitoxin system antidote mnt family; Toxin-antitoxin system toxin hepn family
UniProt
Q8ECH7, Q8ECH6
Pockets
15 · best druggability 0.80

Structure

x-ray diffraction · 6 distinct chains · 69% helix, 6% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AToxin-antitoxin system antidote mnt familyprotein11756% helix, 20% strandQ8ECH7
B, CToxin-antitoxin system toxin hepn familyprotein13278% helix, 0% strandQ8ECH6
D, IToxin-antitoxin system toxin hepn familyprotein12974% helix, 0% strandQ8ECH6
FToxin-antitoxin system antidote mnt familyprotein12354% helix, 18% strandQ8ECH7
GToxin-antitoxin system toxin hepn familyprotein13073% helix, 0% strandQ8ECH6
HToxin-antitoxin system toxin hepn familyprotein12878% helix, 0% strandQ8ECH6

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
17920.800.8378empty
26820.780.8374empty
34220.630.7753empty
41280.580.8427empty
52090.550.7826empty

Interfaces

15 interfaces between chains.

  • B–C · 872 Ų buried · 16 hydrogen bonds · protein-protein
  • D–I · 829 Ų buried · 11 hydrogen bonds · protein-protein
  • G–H · 794 Ų buried · 17 hydrogen bonds · protein-protein
  • A–C · 746 Ų buried · 11 hydrogen bonds · protein-protein
  • F–H · 701 Ų buried · 12 hydrogen bonds · protein-protein

Compared structures

  • 6M6W · Crystal structure the toxin-antitoxin MntA-HpeT mutant-Y104A · the same entry in another collection · chain I against I, TM-score 1.00
  • Q8ECH6 · AlphaFold monomer V2.0 prediction for mRNA nuclease hept (Q8ECH6) · a predicted model of the same protein · chain H against A, TM-score 0.99
  • Q8ECH7 · AlphaFold monomer V2.0 prediction for protein adenylyltransferase mnta (Q8ECH7) · a predicted model of the same protein · chain A against A, TM-score 0.97

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