UniProt P9WMC0
HTH-type transcriptional regulator EthR (P9WMC0)
HTH-type transcriptional regulator EthR (UniProt P9WMC0): 51 experimental structures and 1 predicted model on GenesisL1, 27 ligands bound, 2 pockets. Binding sites, druggability and experiment against prediction (TM-score) in…
- UniProt
- P9WMC0
- Protein
- HTH-type transcriptional regulator EthR
- Experimental structures
- 51
- Predicted models
- 1
- Ligands
- 27
- Pockets
- 2 · 2 records with a druggable one
Structures
52 records of P9WMC0 in the MolNFT archive: 51 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 5EZG | Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in… | x-ray diffraction | A | 5T4, SO4 | — |
| 5EZG | Structure of transcriptional regulatory repressor protein - ethr from mycobacterium tuberculosis in… | x-ray diffraction | A | — | — |
| 5EZH | Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in… | x-ray diffraction | A | 841, SO4 | — |
| 5EZH | Structure of transcriptional regulatory repressor protein - ethr from mycobacterium tuberculosis in… | x-ray diffraction | A | — | — |
| 5F04 | Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in… | x-ray diffraction | A | 5TB, SO4 | — |
| 5F04 | Structure of transcriptional regulatory repressor protein - ethr from mycobacterium tuberculosis in… | x-ray diffraction | A | — | — |
| 5F08 | Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium tuberculosis in… | x-ray diffraction | A | 5TG | — |
| 5F08 | Structure of transcriptional regulatory repressor protein - ethr from mycobacterium tuberculosis in… | x-ray diffraction | A | — | — |
| 5F0C | Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium tuberculosis in… | x-ray diffraction | A | 5TE, SO4 | — |
| 5F0C | Structure of transcriptional regulatory repressor protein - ethr from mycobacterium tuberculosis in… | x-ray diffraction | A | — | — |
| 5F0F | Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in… | x-ray diffraction | A | 5TD, SO4 | 1 (best 0.74) |
| 5F0F | Structure of transcriptional regulatory repressor protein - ethr from mycobacterium tuberculosis in… | x-ray diffraction | A | — | — |
| 5F0H | Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in… | x-ray diffraction | A | 5TC | — |
| 5F0H | Structure of transcriptional regulatory repressor protein - ethr from mycobacterium tuberculosis in… | x-ray diffraction | A | — | — |
| 5F1J | Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in… | x-ray diffraction | A | 5TO | — |
| 5F1J | Structure of transcriptional regulatory repressor protein - ethr from mycobacterium tuberculosis in… | x-ray diffraction | A | — | — |
| 5F27 | Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in… | x-ray diffraction | A | 5TT | — |
| 5F27 | Structure of transcriptional regulatory repressor protein - ethr from mycobacterium tuberculosis in… | x-ray diffraction | A | — | — |
| 5J3L | Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in… | x-ray diffraction | A | 6FR | 1 (best 0.72) |
| 5J3L | Structure of transcriptional regulatory repressor protein - ethr from mycobacterium tuberculosis in… | x-ray diffraction | A | — | — |
| 6HNX | Transcriptional repressor ethr from mycobacterium tuberculosis in complex with BDM35133 | x-ray diffraction | A | GFZ | — |
| 6HNX | Transcriptional repressor ethr from mycobacterium tuberculosis in complex with BDM35133 | x-ray diffraction | A | GFZ | — |
| 6HNZ | Transcriptional repressor ethr from mycobacterium tuberculosis in complex with BDM41231 | x-ray diffraction | A | GH5 | — |
| 6HNZ | Transcriptional repressor ethr from mycobacterium tuberculosis in complex with BDM41231 | x-ray diffraction | A | GH5 | — |
| 6HO1 | Transcriptional repressor ethr from mycobacterium tuberculosis in complex with BDM41974 | x-ray diffraction | A | GFW | — |
| 6HO1 | Transcriptional repressor ethr from mycobacterium tuberculosis in complex with BDM41974 | x-ray diffraction | A | GFW | — |
| 6HO2 | Transcriptional repressor ethr from mycobacterium tuberculosis in complex with BDM43138 | x-ray diffraction | A | GHN | — |
| 6HO2 | Transcriptional repressor ethr from mycobacterium tuberculosis in complex with BDM43138 | x-ray diffraction | A | GHN | — |
| 6HO3 | Transcriptional repressor ethr from mycobacterium tuberculosis in complex with BDM43265 | x-ray diffraction | A | GJ2 | — |
| 6HO3 | Transcriptional repressor ethr from mycobacterium tuberculosis in complex with BDM43265 | x-ray diffraction | A | GJ2 | — |
| 6HO5 | Transcriptional repressor ethr from mycobacterium tuberculosis in complex with BDM44719 | x-ray diffraction | A | GH8 | — |
| 6HO5 | Transcriptional repressor ethr from mycobacterium tuberculosis in complex with BDM44719 | x-ray diffraction | A | GH8 | — |
| 6HO6 | Transcriptional repressor ethr from mycobacterium tuberculosis in complex with BDM44725 | x-ray diffraction | A | GGK | — |
| 6HO6 | Transcriptional repressor ethr from mycobacterium tuberculosis in complex with BDM44725 | x-ray diffraction | A | GGK | — |
| 6HO7 | Transcriptional repressor ethr from mycobacterium tuberculosis in complex with BDM44814 | x-ray diffraction | A | GHQ | — |
| 6HO7 | Transcriptional repressor ethr from mycobacterium tuberculosis in complex with BDM44814 | x-ray diffraction | A | GHQ | — |
| 6HO8 | Transcriptional repressor ethr from mycobacterium tuberculosis in complex with BDM44815 | x-ray diffraction | A | GG8 | — |
| 6HO8 | Transcriptional repressor ethr from mycobacterium tuberculosis in complex with BDM44815 | x-ray diffraction | A | GG8 | — |
| 6HO9 | Transcriptional repressor ethr from mycobacterium tuberculosis in complex with BDM44825 | x-ray diffraction | A | GHB | — |
| 6HO9 | Transcriptional repressor ethr from mycobacterium tuberculosis in complex with BDM44825 | x-ray diffraction | A | GHB | — |
| 6HOA | Transcriptional repressor ethr from mycobacterium tuberculosis in complex with BDM44830 | x-ray diffraction | A | GGN | — |
| 6HOA | Transcriptional repressor ethr from mycobacterium tuberculosis in complex with BDM44830 | x-ray diffraction | A | GGN | — |
| 6HOB | Transcriptional repressor ethr from mycobacterium tuberculosis in complex with BDM44831 | x-ray diffraction | A | GJ5 | — |
| 6HOB | Transcriptional repressor ethr from mycobacterium tuberculosis in complex with BDM44831 | x-ray diffraction | A | GJ5 | — |
| 6HOC | Transcriptional repressor ethr from mycobacterium tuberculosis in complex with BDM44847 | x-ray diffraction | A | GJE | — |
| 6HOD | Transcriptional repressor ethr from mycobacterium tuberculosis in complex with BDM44848 | x-ray diffraction | A | GHK | — |
| 6HOD | Transcriptional repressor ethr from mycobacterium tuberculosis in complex with BDM44848 | x-ray diffraction | A | GHK | — |
| 6HOE | Transcriptional repressor ethr from mycobacterium tuberculosis in complex with BDM44850 | x-ray diffraction | A | GH2 | — |
| 6HOE | Transcriptional repressor ethr from mycobacterium tuberculosis in complex with BDM44850 | x-ray diffraction | A | GH2 | — |
| 6HOF | Transcriptional repressor ethr from mycobacterium tuberculosis in complex with BDM44852 | x-ray diffraction | A | GJ8 | — |
| 6HOF | Transcriptional repressor ethr from mycobacterium tuberculosis in complex with BDM44852 | x-ray diffraction | A | GJ8 | — |
| P9WMC0 | AlphaFold monomer V2.0 prediction for hth-type transcriptional regulator ethr (P9WMC0) | predicted | A | — | — |
Ligands
- SO4 · Sulfate ion · in 5 records
- GFW · ethyl 2-[4-[4-(3-methylbutylsulfamoyl)phenyl]-1,3-thiazol-2-yl]ethanoate · in 2 records
- GFZ · 4-(4-oxidanylidene-1'-propan-2-yl-spiro[3~{H}-chromene-2,4'-piperidine]-6-yl)-~{N}-phenyl-benzamide · in 2 records
- GG8 · ~{N}-[3,3,3-tris(fluoranyl)propyl]benzenesulfonamide · in 2 records
- GGK · 4-[3-(methylsulfonylamino)prop-1-ynyl]-~{N}-[3,3,3-tris(fluoranyl)propyl]benzenesulfonamide · in 2 records
- GGN · 4-[2-(2-propylpyridin-4-yl)-1,3-thiazol-4-yl]-~{N}-[3, 3,3-tris(fluoranyl)propyl]benzamide · in 2 records
- GH2 · Ethyl 2-[4-[4-[3,3,3-tris(fluoranyl) propylcarbamoyl]phenyl]-1,3-thiazol-2-yl]ethanoate · in 2 records
- GH5 · 4,4,4-tris(fluoranyl)-1-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one · in 2 records
- GH8 · 4-(4-oxidanylidene-1'-propan-2-yl-spiro[3~{H}-chromene-2,4'-piperidine]-6-yl)-~{N}-(phenylmethyl)benzamide · in 2 records
- GHB · 4-[4-(2-methylpropyl)-1,2,3-triazol-1-yl]-~{N}-[3,3,3-tris(fluoranyl)propyl]benzamide · in 2 records
- GHK · 4-[3-(phenylsulfonylamino)prop-1-ynyl]benzenesulfonamide · in 2 records
- GHN · Ethyl 2-[4-[4-[3,3,3-tris(fluoranyl) propylsulfamoyl]phenyl]-1,3-thiazol-2-yl]ethanoate · in 2 records
- GHQ · ~{N}-[3,3,3-tris(fluoranyl)propyl]benzamide · in 2 records
- GJ2 · 4-[3-(phenylsulfonylamino)prop-1-ynyl]-~{N}-[3,3,3-tris(fluoranyl)propyl]benzenesulfonamide · in 2 records
- GJ5 · 4-[2-(2-methylpropyl)-1,3-thiazol-4-yl]-~{N}-[3,3,3-tris(fluoranyl)propyl]benzamide · in 2 records
- GJ8 · 4-[2-(phenylsulfonylaminomethyl)-1,3-thiazol-4-yl]-~{N}-[3,3,3-tris(fluoranyl)propyl]benzamide · in 2 records
- 5T4 · ~{N}-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]pyrrolidine-1-carboxamide · in 1 record
- 5TB · 3-cyclopentyl-1-[3-[4-(methylaminomethyl)phenyl]-1,3-diazinan-1-yl]propan-1-one · in 1 record
- 5TC · 3-[1-(4-cyanophenyl)piperidin-4-yl]-~{N}-[(4-piperidin-1-ylphenyl)methyl]propanamide · in 1 record
- 5TD · 4-[4-(3-oxidanylidene-3-pyrrolidin-1-yl-propyl)piperidin-1-yl]benzenecarbonitrile · in 1 record
- 5TE · 3-cyclopentyl-~{N}-(3-piperidin-1-ylphenyl)propanamide · in 1 record
- 5TG · ~{tert}-butyl ~{N}-methyl-~{N}-[[4-[4-(3-oxidanylidene-3-pyrrolidin-1-yl-propyl)piperidin-1-yl]phenyl]methyl]carbamate · in 1 record
- 5TO · 3-cyclopentyl-1-pyrrolidin-1-yl-propan-1-one · in 1 record
- 5TT · ~{N}-methyl-1-(4-piperidin-1-ylphenyl)methanamine · in 1 record
- 6FR · 1-[(2-cyclopentylethyl)sulfonyl]pyrrolidine · in 1 record
- 841 · ~{N}-[(1-pyridin-2-ylpiperidin-4-yl)methyl]pyrrolidine-1-carboxamide · in 1 record
- GJE · 4-azido-~{N}-[3,3,3-tris(fluoranyl)propyl]benzamide · in 1 record
Experiment against prediction
- 6HOC chain A against the predicted model P9WMC0: TM-score 1.00, RMSD 0.31 Å
- 6HO6 chain A against the predicted model P9WMC0: TM-score 1.00, RMSD 0.33 Å
- 6HO6 chain A against the predicted model P9WMC0: TM-score 1.00, RMSD 0.33 Å
- 6HO9 chain A against the predicted model P9WMC0: TM-score 1.00, RMSD 0.33 Å
- 6HO9 chain A against the predicted model P9WMC0: TM-score 1.00, RMSD 0.33 Å
- 6HOE chain A against the predicted model P9WMC0: TM-score 1.00, RMSD 0.35 Å
- 6HOE chain A against the predicted model P9WMC0: TM-score 1.00, RMSD 0.35 Å
- 6HO8 chain A against the predicted model P9WMC0: TM-score 1.00, RMSD 0.37 Å
- 6HO8 chain A against the predicted model P9WMC0: TM-score 1.00, RMSD 0.37 Å
- 6HO1 chain A against the predicted model P9WMC0: TM-score 0.99, RMSD 0.37 Å
Elsewhere
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