GL1X · GenesisL1 explorer

MolNFT v1 · #80081 · protein

Crystal structure of TRM14 from pyrococcus furiosus in complex with sinefungin

3TM5: “Crystal structure of TRM14 from pyrococcus furiosus in complex with sinefungin”. X-ray diffraction, 1 ligand (SFG), 5 pockets (best druggability 0.78). MolNFT v1 #80081 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
3TM5
Type
protein
Length
736 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Crystal structure of TRM14
EC
2.1.1.-
UniProt
Q8U248
Ligands
SFG
Pockets
5 · best druggability 0.78

Structure

x-ray diffraction · 2 distinct chains · 33% helix, 30% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACrystal structure of TRM14 (EC 2.1.1.-)protein36834% helix, 31% strandQ8U248
BCrystal structure of TRM14 (EC 2.1.1.-)protein36832% helix, 30% strandQ8U248

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

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110590.780.8081SFG
21850.550.7925empty
31890.520.7824empty
4520.390.8113empty
5500.270.7411empty

Interfaces

1 interface between chains.

  • A–B · 475 Ų buried · 3 hydrogen bonds · protein-protein

Compared structures

  • 3TM5 · Crystal structure of Trm14 from Pyrococcus furiosus in complex with sinefungin · the same entry in another collection · chain A against A, TM-score 1.00
  • Q8U248 · AlphaFold monomer V2.0 prediction for tRNA (GUANINE(6)-N2)-methyltransferase (Q8U248) · a predicted model of the same protein · chain B against A, TM-score 0.98

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