UniProt P96856
HTH-type transcriptional repressor KstR (P96856)
HTH-type transcriptional repressor KstR (UniProt P96856): 15 experimental structures and 1 predicted model on GenesisL1, 2 ligands bound, 23 pockets. Binding sites, druggability and experiment against prediction (TM-score) in…
- UniProt
- P96856
- Protein
- HTH-type transcriptional repressor KstR
- Experimental structures
- 15
- Predicted models
- 1
- Ligands
- 2
- Pockets
- 23 · 5 records with a druggable one
Structures
16 records of P96856 in the MolNFT archive: 15 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 3MNL | The crystal structure of KstR (Rv3574) from Mycobacterium tuberculosis H37Rv | x-ray diffraction | A, B | — | — |
| 3MNL | The crystal structure of kstr (RV3574) from mycobacterium tuberculosis H37RV | x-ray diffraction | A, B | — | — |
| 5AQC | KstR, transcriptional repressor of cholesterol degradation in Mycobacterium tuberculosis, bound to… | x-ray diffraction | A, B | — | — |
| 5AQC | Kstr, transcriptional repressor of cholesterol degradation in mycobacterium tuberculosis, bound to… | x-ray diffraction | A, B | — | — |
| 5CW8 | Crystal structure of Mycobacterium tuberculosis KstR in complex with 3-oxo-4-cholesten-26-oyl-CoA | x-ray diffraction | A, B | 55X | 4 (best 0.79) |
| 5CW8 | Crystal structure of mycobacterium tuberculosis kstr in complex with 3-oxo-4-cholesten-26-oyl-CoA | x-ray diffraction | A, B | — | — |
| 5CXG | Crystal structure of Mycobacterium tuberculosis KstR in complex with PEG | x-ray diffraction | A, B, C, D | — | 6 (best 0.74) |
| 5CXG | Crystal structure of mycobacterium tuberculosis kstr in complex with peg | x-ray diffraction | A, B, C, D | — | — |
| 5CXI | Crystal structure of mycobacterium tuberculosis kstr in complex with… | x-ray diffraction | A, B | — | — |
| 5FMP | KstR, transcriptional repressor of cholesterol degradation in Mycobacterium tuberculosis, bound to… | x-ray diffraction | A, B | — | 5 (best 0.68) |
| 5FMP | Kstr, transcriptional repressor of cholesterol degradation in mycobacterium tuberculosis, bound to… | x-ray diffraction | A, B | — | — |
| 5UA1 | Mycobacterium tuberculosis KstR in complex with a 18-bp DNA operator | x-ray diffraction | B, A | SO4 | 7 (best 0.75) |
| 5UA1 | Mycobacterium tuberculosis kstr in complex with a 18-bp DNA operator | x-ray diffraction | B, A | SO4 | — |
| 5UA2 | Mycobacterium tuberculosis KstR in complex with a 26-bp DNA operator | x-ray diffraction | A | — | 1 (best 0.61) |
| 5UA2 | Mycobacterium tuberculosis kstr in complex with a 26-bp DNA operator | x-ray diffraction | A | — | — |
| P96856 | AlphaFold monomer V2.0 prediction for hth-type transcriptional repressor kstr (P96856) | predicted | A | — | — |
Ligands
- SO4 · Sulfate ion · in 2 records
- 55X · S-{1-[5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,7-dihydroxy-6,6-dimethyl-3-oxido-8,12 -dioxo-2,4-dioxa-9,13-diaza-3lambda~5~-phosphapentadecan-15-yl} (2S,6R)-6-[(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta [a]phenanthren-17-yl]-2-methylheptanethioate (non-preferred name) · in 1 record
Experiment against prediction
- 3MNL chain A against the predicted model P96856: TM-score 0.99, RMSD 0.54 Å
- 3MNL chain A against the predicted model P96856: TM-score 0.99, RMSD 0.54 Å
- 3MNL chain B against the predicted model P96856: TM-score 0.99, RMSD 0.58 Å
- 3MNL chain B against the predicted model P96856: TM-score 0.99, RMSD 0.58 Å
- 5CXG chain C against the predicted model P96856: TM-score 0.97, RMSD 0.85 Å
- 5CXG chain C against the predicted model P96856: TM-score 0.97, RMSD 0.85 Å
- 5CXG chain B against the predicted model P96856: TM-score 0.97, RMSD 0.86 Å
- 5CXG chain B against the predicted model P96856: TM-score 0.97, RMSD 0.86 Å
- 5CXG chain A against the predicted model P96856: TM-score 0.97, RMSD 1.02 Å
- 5CXG chain A against the predicted model P96856: TM-score 0.97, RMSD 1.02 Å
Elsewhere
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