MolNFT v2 · #152436 · protein
Transcriptional repressor ethr from mycobacterium tuberculosis in complex with BDM44831
6HOB · HTH-type transcriptional regulator EthR: “Transcriptional repressor ethr from mycobacterium tuberculosis in complex with BDM44831”. X-ray diffraction at 1.8, 1 ligand (GJ5), 1 pocket (best druggability 0.70). MolNFT v2 #152436 on…
- PDB
- 6HOB
- Type
- protein
- Length
- 191 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 1.8
- Source
- Mycobacterium tuberculosis CDC1551
- Molecule
- HTH-type transcriptional regulator EthR
- UniProt
- P9WMC0
- Ligands
- GJ5
- Pockets
- 1 · best druggability 0.70
Structure
x-ray diffraction · resolution 1.8 · 1 distinct chain · 77% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | HTH-type transcriptional regulator EthR | protein | 191 | 77% helix, 0% strand | P9WMC0 |
Ligands and binding sites
- GJ5 · 4-[2-(2-methylpropyl)-1,3-thiazol-4-yl]-~{N}-[3,3,3-tris(fluoranyl)propyl]benzamide · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 170 | 0.70 | 0.88 | 30 | GJ5 |
Compared structures
- 6HOB · Transcriptional repressor ethr from mycobacterium tuberculosis in complex with BDM44831 · the same entry in another collection · chain A against A, TM-score 1.00
- P9WMC0 · AlphaFold monomer V2.0 prediction for hth-type transcriptional regulator ethr (P9WMC0) · a predicted model of the same protein · chain A against A, TM-score 0.99
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt P9WMC0
- Elsewhere: RCSB PDB 6HOB · PDBe 6HOB · UniProt P9WMC0
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