MolNFT v1 · #82693 · protein
Crystal structure of TTHA0167, a transcriptional regulator, TETR/ACRR family from thermus thermophilus HB8
3VUQ · Transcriptional regulator (TETR/ACRR family): “Crystal structure of TTHA0167, a transcriptional regulator, TETR/ACRR family from thermus thermophilus HB8”. X-ray diffraction, 8 pockets (best druggability 0.72). MolNFT v1 #82693 on…
- PDB
- 3VUQ
- Type
- protein
- Length
- 711 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Transcriptional regulator (TETR/ACRR family)
- UniProt
- Q5SLX6
- Pockets
- 8 · best druggability 0.72
Structure
x-ray diffraction · 4 distinct chains · 77% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Transcriptional regulator (TETR/ACRR family) | protein | 178 | 79% helix, 0% strand | Q5SLX6 |
| B | Transcriptional regulator (TETR/ACRR family) | protein | 176 | 79% helix, 0% strand | Q5SLX6 |
| C | Transcriptional regulator (TETR/ACRR family) | protein | 179 | 78% helix, 0% strand | Q5SLX6 |
| D | Transcriptional regulator (TETR/ACRR family) | protein | 178 | 71% helix, 0% strand | Q5SLX6 |
Pockets
8 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 66 | 0.72 | 0.97 | 16 | empty |
| 2 | 754 | 0.72 | 0.77 | 48 | empty |
| 3 | 323 | 0.61 | 0.78 | 32 | empty |
| 4 | 358 | 0.61 | 0.77 | 31 | empty |
| 5 | 96 | 0.46 | 0.80 | 23 | empty |
Interfaces
6 interfaces between chains.
- C–D · 1731 Ų buried · 24 hydrogen bonds · protein-protein
- A–B · 1460 Ų buried · 19 hydrogen bonds · protein-protein
- A–D · 692 Ų buried · 14 hydrogen bonds · protein-protein
- A–C · 234 Ų buried · 4 hydrogen bonds · protein-protein
- B–D · 218 Ų buried · 3 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 3VUQ · Crystal structure of TTHA0167, a transcriptional regulator, TetR/AcrR family from Thermus… · 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 Q5SLX6
- Elsewhere: RCSB PDB 3VUQ · PDBe 3VUQ · UniProt Q5SLX6
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