MolNFT v1 · #66018 · protein
The structure of a putative transcriptional regulator tetr family protein from vibrio parahaemolyticus.
3HE0 · Transcriptional regulator, tetr family: “The structure of a putative transcriptional regulator tetr family protein from vibrio parahaemolyticus.”. X-ray diffraction, 2 ligands (SO4, CL), 2 pockets (best druggability 0.86). MolNFT v1…
- PDB
- 3HE0
- Type
- protein
- Length
- 546 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Transcriptional regulator, tetr family
- UniProt
- Q87TM9
- Ligands
- SO4, CL
- Pockets
- 2 · best druggability 0.86
Structure
x-ray diffraction · 3 distinct chains · 71% helix, 1% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Transcriptional regulator, tetr family | protein | 182 | 70% helix, 1% strand | Q87TM9 |
| B | Transcriptional regulator, tetr family | protein | 178 | 73% helix, 1% strand | Q87TM9 |
| C | Transcriptional regulator, tetr family | protein | 186 | 72% helix, 1% strand | Q87TM9 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 7 copies · chains A, B, C
- CL · Chloride ion · ion · 2 copies · chains A, C
- GOL · Glycerol · additive · 6 copies · chains A, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1095 | 0.86 | 0.87 | 80 | SO4, GOL |
| 2 | 412 | 0.69 | 0.81 | 37 | SO4, GOL |
Interfaces
3 interfaces between chains.
- A–B · 1299 Ų buried · 10 hydrogen bonds · protein-protein
- B–C · 156 Ų buried · 1 hydrogen bond · protein-protein
- A–C · 72 Ų buried · 1 hydrogen bond · protein-protein
Modifications
Observed in the structure: 12 modified (engineered).
Compared structures
- 3HE0 · The Structure of a Putative Transcriptional Regulator TetR Family Protein from Vibrio… · the same entry in another collection · chain A against A, TM-score 1.00
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 Q87TM9
- Elsewhere: RCSB PDB 3HE0 · PDBe 3HE0 · UniProt Q87TM9
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