UniProt P9WFX1
Salicylate synthase (P9WFX1)
Salicylate synthase (UniProt P9WFX1): 5 experimental structures and 1 predicted model on GenesisL1, 10 ligands bound, 30 pockets. Binding sites, druggability and experiment against prediction (TM-score) in GL1X.
- UniProt
- P9WFX1
- Protein
- Salicylate synthase
- Experimental structures
- 5
- Predicted models
- 1
- Ligands
- 10
- Pockets
- 30 · 2 records with a druggable one
Structures
6 records of P9WFX1 in the MolNFT archive: 5 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 6ZA4 | M. tuberculosis salicylate synthase mbti in complex with 5-(3- CYANOPHENYL)FURAN-2-carboxylate | x-ray diffraction | A, B, C, D | M83, CL | — |
| 6ZA5 | M. tuberculosis salicylate synthase mbti in complex with salicylate and MG2+ | x-ray diffraction | A, B, C, D | SO4, MG, SAL | — |
| 6ZA6 | M. tuberculosis salicylate synthase mbti in complex with BA2+ | x-ray diffraction | A, B, C, D | PO4, CL, BA | — |
| 8QC4 | M. tuberculosis salicylate synthase MbtI in complex with 5-(3-carboxyphenyl)furan-2-carboxylic acid | x-ray diffraction | A, B | TXR, SO4 | 10 (best 0.73) |
| 8QN5 | M. tuberculosis salicylate synthase MbtI in complex with methyl-AMT (new crystal form) | x-ray diffraction | A, B, C, D | 0GA, NH4 | 20 (best 0.80) |
| P9WFX1 | AlphaFold monomer V2.0 prediction for salicylate synthase (P9WFX1) | predicted | A | — | — |
Ligands
- CL · Chloride ion · in 2 records
- SO4 · Sulfate ion · in 2 records
- 0GA · 3-{[(1Z)-1-carboxyprop-1-en-1-yl]oxy}-2-hydroxybenzoic acid · in 1 record
- BA · Barium ion · in 1 record
- M83 · 5-(3-cyanophenyl)furan-2-carboxylic acid · in 1 record
- MG · Magnesium ion · in 1 record
- NH4 · Ammonium ion · in 1 record
- PO4 · Phosphate ion · in 1 record
- SAL · 2-hydroxybenzoic acid · in 1 record
- TXR · 5-(3-carboxyphenyl)furan-2-carboxylic acid · in 1 record
Experiment against prediction
- 8QN5 chain A against the predicted model P9WFX1: TM-score 0.99, RMSD 0.64 Å
- 6ZA4 chain C against the predicted model P9WFX1: TM-score 0.99, RMSD 0.69 Å
- 6ZA4 chain D against the predicted model P9WFX1: TM-score 0.99, RMSD 0.78 Å
- 6ZA4 chain A against the predicted model P9WFX1: TM-score 0.99, RMSD 0.80 Å
- 8QN5 chain D against the predicted model P9WFX1: TM-score 0.99, RMSD 0.82 Å
- 8QN5 chain B against the predicted model P9WFX1: TM-score 0.99, RMSD 0.86 Å
- 8QN5 chain C against the predicted model P9WFX1: TM-score 0.98, RMSD 0.97 Å
- 8QC4 chain B against the predicted model P9WFX1: TM-score 0.98, RMSD 1.12 Å
- 6ZA5 chain D against the predicted model P9WFX1: TM-score 0.98, RMSD 1.21 Å
- 6ZA6 chain C against the predicted model P9WFX1: TM-score 0.98, RMSD 1.24 Å
Elsewhere
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