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MolNFT v1 · #57411 · protein

Crystal structure of the mutt protein

3A6S · Mutator mutt protein: “Crystal structure of the mutt protein”. X-ray diffraction, 1 ligand (NA), 2 pockets (best druggability 0.38). MolNFT v1 #57411 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
3A6S
Type
protein
Length
246 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Mutator mutt protein
EC
3.6.1.-
UniProt
P08337
Ligands
NA
Pockets
2 · best druggability 0.38

Structure

x-ray diffraction · 2 distinct chains · 21% helix, 46% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AMutator mutt protein (EC 3.6.1.-)protein12522% helix, 46% strandP08337
BMutator mutt protein (EC 3.6.1.-)protein12121% helix, 46% strandP08337

Ligands and binding sites

  • NA · Sodium ion · metal · chains A, B
  • TLA · L(+)-tartaric acid · additive · chains A, B

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

Pockets

2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1940.380.7614empty
2930.340.7421empty

Interfaces

1 interface between chains.

  • A–B · 910 Ų buried · 0 hydrogen bonds · protein-protein

Compared structures

  • 3A6S · Crystal structure of the MutT protein · the same entry in another collection · chain A against A, TM-score 1.00
  • P08337 · AlphaFold monomer V2.0 prediction for 8-oxo-dgtp diphosphatase (P08337) · a predicted model of the same protein · chain B against A, TM-score 0.95

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