MolNFT v1 · #151458 · protein
Transcriptional repressor ethr from mycobacterium tuberculosis in complex with BDM44852
6HOF · Hth-type transcriptional regulator ethr: “Transcriptional repressor ethr from mycobacterium tuberculosis in complex with BDM44852”. X-ray diffraction, 1 ligand (GJ8), 1 pocket (best druggability 0.72). MolNFT v1 #151458 on…
- PDB
- 6HOF
- Type
- protein
- Length
- 191 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hth-type transcriptional regulator ethr
- UniProt
- P9WMC0
- Ligands
- GJ8
- Pockets
- 1 · best druggability 0.72
Structure
x-ray diffraction · 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
- GJ8 · 4-[2-(phenylsulfonylaminomethyl)-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 | 186 | 0.72 | 0.88 | 28 | GJ8 |
Compared structures
- 6HOF · Transcriptional repressor ethr from mycobacterium tuberculosis in complex with BDM44852 · 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 6HOF · PDBe 6HOF · UniProt P9WMC0
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