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MolNFT v1 · #146515 · protein

Structure of TYW1 with a lysine-pyruvate adduct bound

6DJT · S-adenosyl-L-methionine-dependent tRNA 4-demethylwyosine…: “Structure of TYW1 with a lysine-pyruvate adduct bound”. X-ray diffraction, 2 ligands (SF4, FS0), 1 pocket (best druggability 0.76). MolNFT v1 #146515 on GenesisL1: 3D…

PDB
6DJT
Type
protein
Length
298 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
S-adenosyl-L-methionine-dependent tRNA 4-demethylwyosine synthase
EC
4.1.3.44
UniProt
Q57705
Ligands
SF4, FS0
Pockets
1 · best druggability 0.76

Structure

x-ray diffraction · 1 distinct chain · 44% helix, 17% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AS-adenosyl-L-methionine-dependent tRNA 4-demethylwyosine synthase (EC 4.1.3.44)protein29844% helix, 17% strandQ57705

Ligands and binding sites

  • SF4 · Iron/sulfur cluster · ligand · chains A
  • FS0 · Fe2/s3 cluster · ligand · chains A
  • GOL · Glycerol · additive · 8 copies · chains A
  • PEG · Di(hydroxyethyl)ether · additive · 2 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
19380.760.7970SF4, GOL, FS0

Modifications

Observed in the structure: 1 modified (nonstandard).

Compared structures

  • 6DJT · Structure of TYW1 with a lysine-pyruvate adduct bound · the same entry in another collection · chain A against A, TM-score 1.00
  • Q57705 · AlphaFold monomer V2.0 prediction for S-adenosyl-L-methionine- dependent tRNA… · a predicted model of the same protein · chain A against A, TM-score 0.99

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