Research workbench
Mycobacterium tuberculosis transcriptional regulator EthR with bound inhibitory compound
Analyse Mycobacterium tuberculosis transcriptional regulator EthR with bound inhibitory… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7NGU
- Type
- protein
- Length
- 193 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 1.26
- Source
- Mycobacterium tuberculosis
- Molecule
- HTH-type transcriptional regulator EthR
- UniProt
- P9WMC1
- Ligands
- UAZ, SO4
- Pockets
- 1 · best druggability 0.72
Structure
x-ray diffraction · resolution 1.26 · 1 distinct chain · 78% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | HTH-type transcriptional regulator EthR | protein | 193 | 78% helix, 0% strand | P9WMC1 |
Ligands and binding sites
- UAZ · ~{N}-(4-methoxyphenyl)-4-methyl-piperidine-1-carboxamide · ligand · chains A
- SO4 · Sulfate ion · ion · 2 copies · 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 | 186 | 0.72 | 0.88 | 27 | UAZ |
Compared structures
- 7NGU · Mycobacterium tuberculosis transcriptional regulator ethr with bound inhibitory compound · the same entry in another collection · chain A against A, TM-score 1.00
- P9WMC1 · AlphaFold monomer V2.0 prediction for hth-type transcriptional regulator ethr (P9WMC1) · 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 P9WMC1
- Elsewhere: RCSB PDB 7NGU · PDBe 7NGU · UniProt P9WMC1
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