MolNFT v1 · #64586 · protein
Crystal structure of SCO4454, a tetr-family transcriptional regulator from streptomyces coelicolor
3G7R · Putative transcriptional regulator: “Crystal structure of SCO4454, a tetr-family transcriptional regulator from streptomyces coelicolor”. X-ray diffraction, 3 ligands (NA, IOD, CL), 6 pockets (best druggability 0.71). MolNFT v1…
- PDB
- 3G7R
- Type
- protein
- Length
- 391 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative transcriptional regulator
- UniProt
- Q9KZX2
- Ligands
- NA, IOD, CL
- Pockets
- 6 · best druggability 0.71
Structure
x-ray diffraction · 2 distinct chains · 74% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Putative transcriptional regulator | protein | 189 | 74% helix, 0% strand | Q9KZX2 |
| B | Putative transcriptional regulator | protein | 202 | 75% helix, 0% strand | Q9KZX2 |
Ligands and binding sites
- NA · Sodium ion · metal · 2 copies · chains A, B
- IOD · Iodide ion · ion · 3 copies · chains A, B
- CL · Chloride ion · ion · 3 copies · chains B
- EDO · 1,2-ethanediol · additive · 27 copies · chains A, B
- PEG · Di(hydroxyethyl)ether · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 94 | 0.71 | 0.94 | 25 | empty |
| 2 | 78 | 0.67 | 0.93 | 23 | EDO, IOD |
| 3 | 63 | 0.67 | 0.94 | 22 | empty |
| 4 | 54 | 0.57 | 0.90 | 15 | EDO |
| 5 | 122 | 0.44 | 0.77 | 17 | EDO |
Interfaces
1 interface between chains.
- A–B · 1533 Ų buried · 10 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 5 modified (engineered).
Compared structures
- 3G7R · Crystal structure of SCO4454, a TetR-family transcriptional regulator from Streptomyces… · 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 Q9KZX2
- Elsewhere: RCSB PDB 3G7R · PDBe 3G7R · UniProt Q9KZX2
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