MolNFT v1 · #118360 · protein
Structure of transcriptional regulatory repressor protein - ethr from mycobacterium tuberculosis in complex with compound 21 at 1.7A resolution
5EZH · Hth-type transcriptional regulator ethr: “Structure of transcriptional regulatory repressor protein - ethr from mycobacterium tuberculosis in complex…”. X-ray diffraction, 2 ligands (841, SO4), 2 pockets (best druggability 0.81).…
- PDB
- 5EZH
- 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
- P9WMC0
- Ligands
- 841, SO4
- Pockets
- 2 · best druggability 0.81
Structure
x-ray diffraction · 1 distinct chain · 80% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hth-type transcriptional regulator ethr | protein | 193 | 80% helix, 0% strand | P9WMC0 |
Ligands and binding sites
- 841 · ~{N}-[(1-pyridin-2-ylpiperidin-4-yl)methyl]pyrrolidine-1-carboxamide · ligand · 2 copies · chains A
- SO4 · Sulfate ion · ion · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 417 | 0.81 | 0.89 | 49 | 841 |
| 2 | 50 | 0.27 | 0.74 | 19 | empty |
Compared structures
- 5EZH · 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 5EZH · PDBe 5EZH · UniProt P9WMC0
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