MolNFT v1 · #63742 · protein
Structure of SCO0253, a tetr-family transcriptional regulator from streptomyces coelicolor
3FIW · Putative tetr-family transcriptional regulator: “Structure of SCO0253, a tetr-family transcriptional regulator from streptomyces coelicolor”. X-ray diffraction, 8 pockets (best druggability 0.71). MolNFT v1 #63742 on GenesisL1: 3D…
- PDB
- 3FIW
- Type
- protein
- Length
- 682 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative tetr-family transcriptional regulator
- UniProt
- Q9S1N8
- Pockets
- 8 · best druggability 0.71
Structure
x-ray diffraction · 4 distinct chains · 74% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Putative tetr-family transcriptional regulator | protein | 173 | 72% helix, 0% strand | Q9S1N8 |
| B | Putative tetr-family transcriptional regulator | protein | 167 | 76% helix, 0% strand | Q9S1N8 |
| C | Putative tetr-family transcriptional regulator | protein | 173 | 71% helix, 0% strand | Q9S1N8 |
| D | Putative tetr-family transcriptional regulator | protein | 169 | 76% helix, 0% strand | Q9S1N8 |
Ligands and binding sites
- PEG · Di(hydroxyethyl)ether · additive · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 432 | 0.71 | 0.81 | 35 | empty |
| 2 | 423 | 0.70 | 0.81 | 29 | empty |
| 3 | 366 | 0.70 | 0.82 | 28 | empty |
| 4 | 399 | 0.67 | 0.80 | 39 | empty |
| 5 | 292 | 0.58 | 0.77 | 32 | empty |
Interfaces
5 interfaces between chains.
- A–B · 2423 Ų buried · 21 hydrogen bonds · protein-protein
- C–D · 2371 Ų buried · 16 hydrogen bonds · protein-protein
- A–C · 153 Ų buried · 0 hydrogen bonds · protein-protein
- A–D · 47 Ų buried · 2 hydrogen bonds · protein-protein
- B–C · 45 Ų buried · 2 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 23 modified (engineered).
Compared structures
- 3FIW · Structure of SCO0253, a Tetr-family transcriptional regulator from Streptomyces coelicolor · 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 Q9S1N8
- Elsewhere: RCSB PDB 3FIW · PDBe 3FIW · UniProt Q9S1N8
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