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MolNFT v1 · #33277 · protein

Non-discriminating glutamyl-tRNA synthetase from thermosynechococcus elongatus in complex with glu

2CFO: “Non-discriminating glutamyl-tRNA synthetase from thermosynechococcus elongatus in complex with glu”. X-ray diffraction, 1 ligand (GLU), 7 pockets (best druggability 0.70). MolNFT v1 #33277 on GenesisL1: 3D structure, binding sites…

PDB
2CFO
Type
protein
Length
971 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Glutamyl-tRNA synthetase
EC
6.1.1.17
UniProt
Q8DLI5
Ligands
GLU
Pockets
7 · best druggability 0.70

Structure

x-ray diffraction · 2 distinct chains · 50% helix, 12% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AGlutamyl-tRNA synthetase (EC 6.1.1.17)protein48451% helix, 12% strandQ8DLI5
BGlutamyl-tRNA synthetase (EC 6.1.1.17)protein48750% helix, 12% strandQ8DLI5

Ligands and binding sites

  • GLU · Glutamic acid · ligand · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15900.700.7950GLU
24600.690.8046empty
33330.570.7647empty
41710.400.7228empty
5620.350.7812empty

Interfaces

1 interface between chains.

  • A–B · 823 Ų buried · 2 hydrogen bonds · protein-protein

Compared structures

  • 2CFO · Non-Discriminating Glutamyl-tRNA Synthetase from Thermosynechococcus elongatus in Complex… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q8DLI5 · AlphaFold monomer V2.0 prediction for glutamate--tRNA ligase (Q8DLI5) · a predicted model of the same protein · chain A against A, TM-score 0.98

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