UniProt P9WMC1
HTH-type transcriptional regulator EthR (P9WMC1)
HTH-type transcriptional regulator EthR (UniProt P9WMC1): 51 experimental structures and 1 predicted model on GenesisL1, 35 ligands bound, 27 pockets. Binding sites, druggability and experiment against prediction (TM-score) in…
- UniProt
- P9WMC1
- Protein
- HTH-type transcriptional regulator EthR
- Experimental structures
- 51
- Predicted models
- 1
- Ligands
- 35
- Pockets
- 27 · 10 records with a druggable one
Structures
52 records of P9WMC1 in the MolNFT archive: 51 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 5MWO | Structure of Mycobacterium Tuberculosis Transcriptional Regulatory Repressor Protein (EthR) in… | x-ray diffraction | A | J6W | — |
| 5MWO | Structure of mycobacterium tuberculosis transcriptional regulatory repressor protein (ethr) in… | x-ray diffraction | A | J6W | — |
| 5MXK | Structure of Mycobacterium Tuberculosis Transcriptional Regulatory Repressor Protein (EthR) in… | x-ray diffraction | A | ZHA | — |
| 5MXK | Structure of mycobacterium tuberculosis transcriptional regulatory repressor protein (ethr) in… | x-ray diffraction | A | ZHA | — |
| 5MXV | Structure of transcriptional regulatory repressor protein - ethr from mycobacterium tuberculosis in… | x-ray diffraction | A | K3T | — |
| 5MYL | Structure of transcriptional regulatory repressor protein - ethr from mycobacterium tuberculosis in… | x-ray diffraction | A | Q2N | — |
| 5MYM | Structure of transcriptional regulatory repressor protein - ethr from mycobacterium tuberculosis in… | x-ray diffraction | A, B, C, D | HYV | — |
| 5MYN | Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in… | x-ray diffraction | A | ZUF | — |
| 5MYN | Structure of transcriptional regulatory repressor protein - ethr from mycobacterium tuberculosis in… | x-ray diffraction | A | ZUF | — |
| 5MYR | Structure of transcriptional regulatory repressor protein - ethr from mycobacterium tuberculosis in… | x-ray diffraction | A | UDY | — |
| 5MYS | Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in… | x-ray diffraction | A | YP6 | — |
| 5MYS | Structure of transcriptional regulatory repressor protein - ethr from mycobacterium tuberculosis in… | x-ray diffraction | A | YP6 | — |
| 5MYT | Structure of transcriptional regulatory repressor protein - ethr from mycobacterium tuberculosis in… | x-ray diffraction | A | ZQC | — |
| 5MYW | Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in… | x-ray diffraction | A | WCU | 1 (best 0.64) |
| 5MYW | Structure of transcriptional regulatory repressor protein - ethr from mycobacterium tuberculosis in… | x-ray diffraction | A | WCU | — |
| 5NIM | Ethr complex | x-ray diffraction | A | 8YE, SO4 | — |
| 5NIO | EthR complex | x-ray diffraction | A | 8YH, SO4 | 1 (best 0.72) |
| 5NIO | Ethr complex | x-ray diffraction | A | 8YH, SO4 | — |
| 5NIZ | EthR complex | x-ray diffraction | A | 8YT, SO4 | 1 (best 0.76) |
| 5NIZ | Ethr complex | x-ray diffraction | A | 8YT, SO4 | — |
| 5NJ0 | Ethr complex | x-ray diffraction | A | 8YW, SO4 | — |
| 5NZ0 | Structure of transcriptional regulatory repressor protein - ethr from mycobacterium tuberculosis in… | x-ray diffraction | A | ZLD | — |
| 5NZ1 | Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in… | x-ray diffraction | A, B, C, D, E, F, G, H | 9EN | 17 (best 0.86) |
| 5NZ1 | Structure of transcriptional regulatory repressor protein - ethr from mycobacterium tuberculosis in… | x-ray diffraction | A, B, C, D, E, F, G, H | 9EN | — |
| 6HO0 | Transcriptional repressor ethr from mycobacterium tuberculosis in complex with BDM41325 | x-ray diffraction | A | GFK | 1 (best 0.71) |
| 6HO0 | Transcriptional repressor ethr from mycobacterium tuberculosis in complex with BDM41325 | x-ray diffraction | A | GFK | — |
| 6HO4 | Transcriptional repressor ethr from mycobacterium tuberculosis in complex with BDM44693 | x-ray diffraction | A | GFQ | — |
| 6HO4 | Transcriptional repressor ethr from mycobacterium tuberculosis in complex with BDM44693 | x-ray diffraction | A | GFQ | — |
| 6R1P | EthR ligand complex | x-ray diffraction | A | JPH | 2 (best 0.69) |
| 6R1P | Ethr ligand complex | x-ray diffraction | A | JPH | — |
| 6R1S | EthR ligand complex | x-ray diffraction | A | JPK | 1 (best 0.75) |
| 6R1S | Ethr ligand complex | x-ray diffraction | A | JPK | — |
| 7NGD | Mycobacterium tuberculosis transcriptional regulator ethr with bound inhibitory compound | x-ray diffraction | A | UAB | — |
| 7NGG | Mycobacterium tuberculosis transcriptional regulator ethr with bound inhibitory compound | x-ray diffraction | C | U9W | — |
| 7NGI | Mycobacterium tuberculosis transcriptional regulator EthR with bound inhibitory compound | x-ray diffraction | A | SO4, U9T | 1 (best 0.73) |
| 7NGI | Mycobacterium tuberculosis transcriptional regulator ethr with bound inhibitory compound | x-ray diffraction | A | SO4, U9T | — |
| 7NGJ | Mycobacterium tuberculosis transcriptional regulator ethr with bound inhibitory compound | x-ray diffraction | A | UAT | — |
| 7NGK | Mycobacterium tuberculosis transcriptional regulator ethr with bound inhibitory compound | x-ray diffraction | A | SO4, UAE | — |
| 7NGM | Mycobacterium tuberculosis transcriptional regulator ethr with bound inhibitory compound | x-ray diffraction | A | UAK | — |
| 7NGN | Mycobacterium tuberculosis transcriptional regulator ethr with bound inhibitory compound | x-ray diffraction | A | UA8, SO4 | — |
| 7NGO | Mycobacterium tuberculosis transcriptional regulator EthR with bound inhibitory compound | x-ray diffraction | A | UAQ | 1 (best 0.73) |
| 7NGO | Mycobacterium tuberculosis transcriptional regulator ethr with bound inhibitory compound | x-ray diffraction | A | UAQ | — |
| 7NGR | Mycobacterium tuberculosis transcriptional regulator EthR with bound inhibitory compound | x-ray diffraction | A | U9Z | 1 (best 0.73) |
| 7NGR | Mycobacterium tuberculosis transcriptional regulator ethr with bound inhibitory compound | x-ray diffraction | A | U9Z | — |
| 7NGS | Mycobacterium tuberculosis transcriptional regulator ethr with bound inhibitory compound | x-ray diffraction | A | UB5 | — |
| 7NGT | Mycobacterium tuberculosis transcriptional regulator ethr with bound inhibitory compound | x-ray diffraction | A | 8YH, SO4 | — |
| 7NGU | Mycobacterium tuberculosis transcriptional regulator EthR with bound inhibitory compound | x-ray diffraction | A | UAZ, SO4 | — |
| 7NGU | Mycobacterium tuberculosis transcriptional regulator ethr with bound inhibitory compound | x-ray diffraction | A | UAZ, SO4 | — |
| 7NGW | Mycobacterium tuberculosis transcriptional regulator ethr with bound inhibitory compound | x-ray diffraction | A | UAW, SO4 | — |
| 7NGX | Mycobacterium tuberculosis transcriptional regulator ethr with bound inhibitory compound | x-ray diffraction | A | UBQ | — |
| 7NGY | Mycobacterium tuberculosis transcriptional regulator ethr with bound inhibitory compound | x-ray diffraction | A | UBN | — |
| P9WMC1 | AlphaFold monomer V2.0 prediction for hth-type transcriptional regulator ethr (P9WMC1) | predicted | A | — | — |
Ligands
- SO4 · Sulfate ion · in 14 records
- 8YH · ~{N}-butyl-4-methyl-piperidine-1-carboxamide · in 3 records
- 8YT · 1-[3-[5-[(1~{R},2~{R})-2-methylcyclopropyl]furan-2-yl]propanoyl]piperidine-4-carboxamide · in 2 records
- 9EN · ~{N}-[[(5~{S})-3-(3-fluoranyl-4-thiomorpholin-4-yl-phenyl)-2-oxidanylidene-1,3-oxazolidin-5-yl]methyl]ethanamide · in 2 records
- GFK · 4,4,4-tris(fluoranyl)-1-[4-[3-(6-methoxy-1,3-benzothiazol-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-one · in 2 records
- GFQ · 4-[2-(4-methylpentyl)-1,3-thiazol-4-yl]-~{N}-[3,3,3-tris(fluoranyl)propyl]benzamide · in 2 records
- J6W · (5-methyl-1-benzothiophen-2-yl)methanol · in 2 records
- JPH · 2-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,3-triazol-1-yl]ethyl]-6-methyl-1~{H}-pyrimidin-4-one · in 2 records
- JPK · 2-(3-methylphenyl)-~{N}-[[2-(oxan-4-yl)-7-oxidanyl-pyrazolo[1,5-a]pyrimidin-5-yl]methyl]ethanamide · in 2 records
- U9T · ~{N}-[2-(2-fluorophenyl)ethyl]-4-methyl-piperidine-1-carboxamide · in 2 records
- U9Z · 4-methyl-~{N}-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide · in 2 records
- UAQ · ~{N}-(furan-2-ylmethyl)-4-methyl-piperidine-1-carboxamide · in 2 records
- UAZ · ~{N}-(4-methoxyphenyl)-4-methyl-piperidine-1-carboxamide · in 2 records
- WCU · ~{N}2-(1,3-benzodioxol-5-yl)benzene-1,2-diamine · in 2 records
- YP6 · 2-(3-fluoranylphenoxy)-~{N}-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethanamide · in 2 records
- ZHA · ~{N}-(5-oxidanylidene-7,8-dihydro-6~{H}-naphthalen-2-yl)ethanamide · in 2 records
- ZUF · ~{N}-(5-chloranylpyridin-2-yl)-4-pyridin-2-yl-1,3-thiazol-2-amine · in 2 records
- 8YE · [1-(2-hydroxyethyl)pyrrolo[3,4-c]pyrazol-5-yl]-(5-propyl-1,2-oxazol-3-yl)methanone · in 1 record
- 8YW · ~{N}-[(2~{R})-2-(4-nitrophenyl)-2-oxidanyl-ethyl]-1,3-benzodioxole-5-carboxamide · in 1 record
- HYV · [4-(phenylmethyl)piperidin-1-yl]-[1-(5-pyrrol-1-yl-1,3, 4-thiadiazol-2-yl)piperidin-4-yl]methanone · in 1 record
- K3T · 3-chloranyl-~{N}-(4,5-dihydro-1,3-thiazol-2-yl)-6-fluoranyl-1-benzothiophene-2-carboxamide · in 1 record
- Q2N · 2-(4-fluorophenyl)-~{N}-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethanamide · in 1 record
- U9W · ~{N}-(4-chlorophenyl)-4-methyl-piperidine-1-carboxamide · in 1 record
- UA8 · ~{N}-cycloheptyl-4-methyl-piperidine-1-carboxamide · in 1 record
- UAB · 4-methyl-~{N}-(4-phenylbutyl)piperidine-1-carboxamide · in 1 record
- UAE · ~{N}-cyclohexyl-4-methyl-piperidine-1-carboxamide · in 1 record
- UAK · 4-methyl-~{N}-[(1~{R})-1-phenylethyl]piperidine-1-carboxamide · in 1 record
- UAT · 4-methyl-~{N}-(phenylmethyl)piperidine-1-carboxamide · in 1 record
- UAW · ~{N}-(4-hydroxyphenyl)-4-methyl-piperidine-1-carboxamide · in 1 record
- UB5 · 4-methyl-~{N}-pentyl-piperidine-1-carboxamide · in 1 record
Experiment against prediction
- 7NGR chain A against the predicted model P9WMC1: TM-score 0.99, RMSD 0.41 Å
- 7NGR chain A against the predicted model P9WMC1: TM-score 0.99, RMSD 0.41 Å
- 7NGD chain A against the predicted model P9WMC1: TM-score 0.99, RMSD 0.41 Å
- 7NGM chain A against the predicted model P9WMC1: TM-score 0.99, RMSD 0.41 Å
- 7NGO chain A against the predicted model P9WMC1: TM-score 0.99, RMSD 0.41 Å
- 7NGO chain A against the predicted model P9WMC1: TM-score 0.99, RMSD 0.41 Å
- 7NGY chain A against the predicted model P9WMC1: TM-score 0.99, RMSD 0.41 Å
- 5MWO chain A against the predicted model P9WMC1: TM-score 0.99, RMSD 0.41 Å
- 5MWO chain A against the predicted model P9WMC1: TM-score 0.99, RMSD 0.41 Å
- 7NGJ chain A against the predicted model P9WMC1: TM-score 0.99, RMSD 0.42 Å
Elsewhere
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