MolNFT v1 · #118427 · protein
Structure of transcriptional regulatory repressor protein - ethr from mycobacterium tuberculosis in complex with compound 1 at 1.63A resolution
5F1J · Hth-type transcriptional regulator ethr: “Structure of transcriptional regulatory repressor protein - ethr from mycobacterium tuberculosis in complex…”. X-ray diffraction, 1 ligand (5TO), 1 pocket (best druggability 0.79). MolNFT v1…
- PDB
- 5F1J
- Type
- protein
- Length
- 194 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hth-type transcriptional regulator ethr
- UniProt
- P9WMC0
- Ligands
- 5TO
- Pockets
- 1 · best druggability 0.79
Structure
x-ray diffraction · 1 distinct chain · 78% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hth-type transcriptional regulator ethr | protein | 194 | 78% helix, 0% strand | P9WMC0 |
Ligands and binding sites
- 5TO · 3-cyclopentyl-1-pyrrolidin-1-yl-propan-1-one · ligand · 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 | 299 | 0.79 | 0.89 | 39 | 5TO |
Compared structures
- 5F1J · Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium… · 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 5F1J · PDBe 5F1J · UniProt P9WMC0
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