MolNFT v1 · #183168 · protein
Mycobacterium tuberculosis transcriptional regulator ethr with bound inhibitory compound
7NGW · Hth-type transcriptional regulator ethr: “Mycobacterium tuberculosis transcriptional regulator ethr with bound inhibitory compound”. X-ray diffraction, 2 ligands (UAW, SO4), 1 pocket (best druggability 0.73). MolNFT v1 #183168 on…
- PDB
- 7NGW
- Type
- protein
- Length
- 193 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hth-type transcriptional regulator ethr
- UniProt
- P9WMC1
- Ligands
- UAW, SO4
- Pockets
- 1 · best druggability 0.73
Structure
x-ray diffraction · 1 distinct chain · 79% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hth-type transcriptional regulator ethr | protein | 193 | 79% helix, 0% strand | P9WMC1 |
Ligands and binding sites
- UAW · ~{N}-(4-hydroxyphenyl)-4-methyl-piperidine-1-carboxamide · ligand · chains A
- SO4 · Sulfate ion · ion · 4 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 | 187 | 0.73 | 0.89 | 28 | UAW |
Compared structures
- 7NGW · 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 7NGW · PDBe 7NGW · UniProt P9WMC1
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