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Crystal structure of bifunctional methyltransferase ycby (rlmlk) from escherichia COLI, SAM binding

Analyse Crystal structure of bifunctional methyltransferase ycby (rlmlk) from… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3V8V
Type
protein
Length
1,300 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Ribosomal RNA large subunit methyltransferase L
EC
2.1.1.173
UniProt
P75864
Ligands
SAM, TRV, GLC
Pockets
19 · best druggability 0.73

Structure

x-ray diffraction · 2 distinct chains · 36% helix, 25% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ARibosomal RNA large subunit methyltransferase L (EC 2.1.1.173)protein66436% helix, 25% strandP75864
BRibosomal RNA large subunit methyltransferase L (EC 2.1.1.173)protein63636% helix, 24% strandP75864

Ligands and binding sites

  • SAM · S-adenosylmethionine · ligand · 4 copies · chains A, B
  • TRV · 6-O-octanoyl-beta-D-fructofuranose · ligand · 2 copies · chains A, B
  • GLC · alpha-D-glucopyranose · sugar · 2 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19500.730.7791GLC, TRV, SAM
24660.710.8156SAM
37990.710.7761GLC, TRV
44510.690.8055SAM
5710.500.8314empty

Interfaces

1 interface between chains.

  • A–B · 959 Ų buried · 12 hydrogen bonds · protein-protein

Compared structures

  • 3V8V · Crystal structure of bifunctional methyltransferase YcbY (RlmLK) from Escherichia coli… · the same entry in another collection · chain B against B, TM-score 1.00
  • P75864 · AlphaFold monomer V2.0 prediction for ribosomal RNA large subunit methyltransferase K/L… · a predicted model of the same protein · chain A against A, TM-score 0.97

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