MolNFT v1 · #127443 · protein
Structure of mycobacterium tuberculosis transcriptional regulatory repressor protein (ethr) in complex with fragment 7E8.
5MWO · Hth-type transcriptional regulator ethr: “Structure of mycobacterium tuberculosis transcriptional regulatory repressor protein (ethr) in complex with…”. X-ray diffraction, 1 ligand (J6W), 1 pocket (best druggability 0.77). MolNFT v1…
- PDB
- 5MWO
- 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
- J6W
- Pockets
- 1 · best druggability 0.77
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 | 193 | 78% helix, 0% strand | P9WMC1 |
Ligands and binding sites
- J6W · (5-methyl-1-benzothiophen-2-yl)methanol · ligand · 2 copies · chains A
- EDO · 1,2-ethanediol · additive · 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 | 239 | 0.77 | 0.90 | 34 | J6W |
Compared structures
- 5MWO · Structure of Mycobacterium Tuberculosis Transcriptional Regulatory Repressor Protein… · 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 5MWO · PDBe 5MWO · UniProt P9WMC1
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