MolNFT v1 · #57937 · protein
Crystal structure of thermus thermophilus fadr, a tetr familly transcriptional repressor, in complex with lauroyl-CoA.
3ANP · Transcriptional repressor, tetr family: “Crystal structure of thermus thermophilus fadr, a tetr familly transcriptional repressor, in complex with…”. X-ray diffraction, 2 ligands (DCC, DAO), 9 pockets (best druggability 0.79).…
- PDB
- 3ANP
- Type
- protein
- Length
- 790 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Transcriptional repressor, tetr family
- UniProt
- Q5SM42
- Ligands
- DCC, DAO
- Pockets
- 9 · best druggability 0.79
Structure
x-ray diffraction · 4 distinct chains · 74% helix, 1% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| C | Transcriptional repressor, tetr family | protein | 200 | 76% helix, 1% strand | Q5SM42 |
| D | Transcriptional repressor, tetr family | protein | 195 | 73% helix, 1% strand | Q5SM42 |
| A | Transcriptional repressor, tetr family | protein | 201 | 75% helix, 1% strand | Q5SM42 |
| B | Transcriptional repressor, tetr family | protein | 194 | 73% helix, 1% strand | Q5SM42 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 474 | 0.79 | 0.86 | 48 | DCC |
| 2 | 379 | 0.77 | 0.87 | 52 | DCC |
| 3 | 474 | 0.77 | 0.85 | 47 | DAO |
| 4 | 367 | 0.77 | 0.87 | 46 | DCC |
| 5 | 166 | 0.58 | 0.82 | 31 | empty |
Interfaces
6 interfaces between chains.
- A–B · 2146 Ų buried · 37 hydrogen bonds · protein-protein
- C–D · 2145 Ų buried · 48 hydrogen bonds · protein-protein
- C–B · 537 Ų buried · 6 hydrogen bonds · protein-protein
- D–A · 515 Ų buried · 7 hydrogen bonds · protein-protein
- D–B · 383 Ų buried · 1 hydrogen bond · protein-protein
Modifications
Observed in the structure: 16 modified (engineered).
Compared structures
- 3ANP · Crystal structure of Thermus thermophilus FadR, a TetR familly transcriptional repressor… · the same entry in another collection · chain D against D, 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 Q5SM42
- Elsewhere: RCSB PDB 3ANP · PDBe 3ANP · UniProt Q5SM42
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.