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MolNFT v1 · #65260 · protein

Crystal structure of the complex between AMP and methanocaldococcus jannaschi DIM1

3GRU · Dimethyladenosine transferase: “Crystal structure of the complex between AMP and methanocaldococcus jannaschi DIM1”. X-ray diffraction, 2 ligands (AMP, SO4), 1 pocket (best druggability 0.62). MolNFT v1 #65260 on GenesisL1: 3D…

PDB
3GRU
Type
protein
Length
263 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Dimethyladenosine transferase
EC
2.1.1.-
UniProt
Q58435
Ligands
AMP, SO4
Pockets
1 · best druggability 0.62

Structure

x-ray diffraction · 1 distinct chain · 51% helix, 19% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ADimethyladenosine transferase (EC 2.1.1.-)protein26351% helix, 19% strandQ58435

Ligands and binding sites

  • AMP · Adenosine monophosphate · ligand · chains A
  • SO4 · Sulfate ion · ion · 4 copies · chains A

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

Pockets

1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12460.620.8138AMP

Compared structures

  • 3GRU · Crystal Structure of the Complex between AMP and Methanocaldococcus jannaschi Dim1 · the same entry in another collection · chain A against A, TM-score 1.00
  • Q58435 · AlphaFold monomer V2.0 prediction for probable ribosomal RNA small subunit… · a predicted model of the same protein · chain A against A, TM-score 1.00

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