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Structure of the product complex of tRNA M1A58 methyltransferase with TRNA3LYS as substrate

Analyse Structure of the product complex of tRNA M1A58 methyltransferase with TRNA3LYS… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5CCX
Type
protein + RNA
Length
731 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
TRNA (ADENINE(58)-N(1))-methyltransferase catalytic subunit TRMT61A; TRNA…
EC
2.1.1.220
UniProt
Q96FX7, Q9UJA5
Ligands
SAH, NA
Pockets
9 · best druggability 0.76

Structure

x-ray diffraction · 3 distinct chains · 32% helix, 27% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ATRNA (ADENINE(58)-N(1))-methyltransferase catalytic subunit TRMT61A (EC 2.1.1.220)protein28327% helix, 30% strandQ96FX7
BTRNA (ADENINE(58)-N(1))-methyltransferase non-catalytic subunit TRM6protein37136% helix, 24% strandQ9UJA5
NTRNA3LYSrna77——

Ligands and binding sites

  • SAH · S-adenosyl-L-homocysteine · ligand · chains A
  • NA · Sodium ion · metal · chains N

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

Pockets

9 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
18410.760.8084empty
25150.680.7954empty
34750.660.7867empty
43710.630.7838empty
51810.550.8030empty

Interfaces

2 interfaces between chains.

  • A–B · 2580 Ų buried · 30 hydrogen bonds · protein-protein
  • B–N · 1768 Ų buried · 35 hydrogen bonds · protein-nucleic

Modifications

Observed in the structure: 1 modified (nucleotide modification).

Compared structures

  • 5CCX · Structure of the product complex of tRNA m1A58 methyltransferase with tRNA3Lys as… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q96FX7 · AlphaFold monomer V2.0 prediction for tRNA (ADENINE(58)-N(1))-methyltransferase catalytic… · a predicted model of the same protein · chain A against A, TM-score 0.97
  • Q9UJA5 · AlphaFold monomer V2.0 prediction for tRNA (ADENINE(58)-N(1))-methyltransferase… · a predicted model of the same protein · chain B against A, TM-score 0.96

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