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Crystal structure and catalytic mechanism of the essential M1G37 tRNA methyltransferase trmd from pseudomonas aeruginosa

Analyse Crystal structure and catalytic mechanism of the essential M1G37 tRNA… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5WYR
Type
protein
Length
490 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
TRNA (guanine-N(1)-)-methyltransferase
EC
2.1.1.228
UniProt
Q02RL6
Ligands
SFG
Pockets
4 · best druggability 0.80

Structure

x-ray diffraction · 2 distinct chains · 42% helix, 19% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ATRNA (guanine-N(1)-)-methyltransferase (EC 2.1.1.228)protein24242% helix, 19% strandQ02RL6
BTRNA (guanine-N(1)-)-methyltransferase (EC 2.1.1.228)protein24842% helix, 18% strandQ02RL6

Ligands and binding sites

  • SFG · Sinefungin · ligand · 2 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11400.800.9835SFG
25570.740.8263SFG
31930.540.7932empty
4820.400.7821empty

Interfaces

1 interface between chains.

  • A–B · 3961 Ų buried · 67 hydrogen bonds · protein-protein

Compared structures

  • 5WYR · Crystal structure and catalytic mechanism of the essential m1G37 tRNA methyltransferase… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q02RL6 · AlphaFold monomer V2.0 prediction for tRNA (guanine-N(1)-)-methyltransferase (Q02RL6) · a predicted model of the same protein · chain A against A, TM-score 0.99

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