UniProt P00954
Tryptophan--tRNA ligase (P00954)
Tryptophan--tRNA ligase (UniProt P00954), EC 6.1.1.2: 10 experimental structures and 1 predicted model on GenesisL1, 11 ligands bound, 48 pockets. Binding sites, druggability and experiment against prediction (TM-score) in GL1X.
- UniProt
- P00954
- Protein
- Tryptophan--tRNA ligase
- EC
- 6.1.1.2
- Experimental structures
- 10
- Predicted models
- 1
- Ligands
- 11
- Pockets
- 48 · 11 records with a druggable one
Structures
11 records of P00954 in the MolNFT archive: 10 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 8I1W | The asymmetric structure of homodimeric E. coli TrpRS bound with tryptophanyl adenylate at one of… | x-ray diffraction | A, B | SO4, TYM | 4 (best 0.77) |
| 8I1Y | The structure of E. coli TrpRS bound with a chemical fragment | x-ray diffraction | A, B | O7L, SO4, TYM | 6 (best 0.77) |
| 8I1Z | E. coli tryptophanyl-tRNA synthetase bound with a chemical fragment | x-ray diffraction | A, B | O7R, SO4, TYM | 4 (best 0.78) |
| 8I27 | E. coli tryptophanyl-tRNA synthetase bound with a chemical fragment at the dimerization interface | x-ray diffraction | A, B | O8C, SO4, TYM | 5 (best 0.78) |
| 8I2A | E. coli tryptophanyl-tRNA synthetase bound with a chemical fragment at the dimerization interface | x-ray diffraction | A, B | SO4, TYM, 5OB | 4 (best 0.76) |
| 8I2C | E. coli tryptophanyl-tRNA synthetase bound with a chemical fragment at the dimerization interface | x-ray diffraction | A, B | O8U, SO4, TYM | 5 (best 0.78) |
| 8I2J | E. coli tryptophanyl-tRNA synthetase bound with a chemical fragment at the dimerization interface | x-ray diffraction | A, B | O9F, TYM, SO4 | 6 (best 0.78) |
| 8I2L | E. coli tryptophanyl-tRNA synthetase bound with a chemical fragment at the dimerization interface | x-ray diffraction | A, B | SO4, TYM, CLW | 4 (best 0.78) |
| 8I2M | The crystal structure of homodimeric E. coli tryptophanyl-tRNA synthetase bound with niraparib at… | x-ray diffraction | A, B | 3JD, SO4, TYM | 4 (best 0.78) |
| 8I4I | The asymmetric structure of homodimeric E. coli TrpRS bound with tryptophanyl adenylate and… | x-ray diffraction | A, B | TRP, SO4, TYM | 5 (best 0.79) |
| P00954 | AlphaFold monomer V2.0 prediction for tryptophan--tRNA ligase (P00954) | predicted | A | — | 1 (best 0.73) |
Ligands
- SO4 · Sulfate ion · in 10 records
- TYM · Tryptophanyl-5'amp · in 10 records
- 3JD · 2-{4-[(3S)-piperidin-3-yl]phenyl}-2H-indazole-7-carboxamide · in 1 record
- 5OB · 5-methoxybenzimidazole · in 1 record
- CLW · Chlorzoxazone · in 1 record
- O7L · 5-ethanoylthiophene-2-carbonitrile · in 1 record
- O7R · 1-(2,3-dihydro-1-benzofuran-5-yl)ethanone · in 1 record
- O8C · 4-methoxybenzenecarbonitrile · in 1 record
- O8U · 4-methoxyaniline · in 1 record
- O9F · 1-(4-methoxyphenyl)ethanone · in 1 record
- TRP · Tryptophan · in 1 record
Experiment against prediction
- 8I2J chain A against the predicted model P00954: TM-score 0.98, RMSD 0.96 Å
- 8I2M chain A against the predicted model P00954: TM-score 0.98, RMSD 0.94 Å
- 8I4I chain A against the predicted model P00954: TM-score 0.98, RMSD 0.98 Å
- 8I1W chain A against the predicted model P00954: TM-score 0.98, RMSD 0.99 Å
- 8I2L chain A against the predicted model P00954: TM-score 0.98, RMSD 1.00 Å
- 8I27 chain A against the predicted model P00954: TM-score 0.98, RMSD 0.97 Å
- 8I2C chain A against the predicted model P00954: TM-score 0.98, RMSD 1.01 Å
- 8I2A chain A against the predicted model P00954: TM-score 0.98, RMSD 0.97 Å
- 8I1Y chain A against the predicted model P00954: TM-score 0.98, RMSD 1.03 Å
- 8I1Z chain A against the predicted model P00954: TM-score 0.97, RMSD 1.13 Å
Elsewhere
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