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MolNFT v1 · #121049 · protein

Crystal structure of pyrococcus abyssi TRM5A complexed with mta

5HJM · TRNA (GUANINE(37)-N1)-methyltransferase TRM5A: “Crystal structure of pyrococcus abyssi TRM5A complexed with mta”. X-ray diffraction, 2 ligands (MTA, HSL), 3 pockets (best druggability 0.78). MolNFT v1 #121049 on GenesisL1: 3D…

PDB
5HJM
Type
protein
Length
349 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
TRNA (GUANINE(37)-N1)-methyltransferase TRM5A
EC
2.1.1.228
UniProt
Q9V2G1
Ligands
MTA, HSL
Pockets
3 · best druggability 0.78

Structure

x-ray diffraction · 1 distinct chain · 34% helix, 34% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ATRNA (GUANINE(37)-N1)-methyltransferase TRM5A (EC 2.1.1.228)protein34934% helix, 34% strandQ9V2G1

Ligands and binding sites

  • MTA · 5'-deoxy-5'-methylthioadenosine · ligand · chains A
  • HSL · Homoserine lactone · ligand · chains A
  • ACT · Acetate ion · additive · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14350.780.8653MTA, ACT
22350.460.7324empty
3870.380.7617HSL

Compared structures

  • 5HJM · Crystal Structure of Pyrococcus abyssi Trm5a complexed with MTA · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9V2G1 · AlphaFold monomer V2.0 prediction for tRNA (GUANINE(37)-N1)/4-DEMETHYLWYOSINE(37)-methyltr… · a predicted model of the same protein · chain A against A, TM-score 0.77

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