MolNFT v1 · #49249 · protein
Crystal structure of tetr-family transcriptional regulator from streptomyces coelicolor
2QIB: “Crystal structure of tetr-family transcriptional regulator from streptomyces coelicolor”. X-ray diffraction, 4 pockets (best druggability 0.87). MolNFT v1 #49249 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 2QIB
- Type
- protein
- Length
- 430 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Tetr-family transcriptional regulator
- UniProt
- Q9KZ14
- Pockets
- 4 · best druggability 0.87
Structure
x-ray diffraction · 2 distinct chains · 79% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Tetr-family transcriptional regulator | protein | 222 | 79% helix, 0% strand | Q9KZ14 |
| B | Tetr-family transcriptional regulator | protein | 208 | 79% helix, 0% strand | Q9KZ14 |
Ligands and binding sites
- P6G · Hexaethylene glycol · additive · 4 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 353 | 0.87 | 0.96 | 50 | P6G |
| 2 | 371 | 0.86 | 0.95 | 59 | P6G |
| 3 | 563 | 0.77 | 0.83 | 40 | empty |
| 4 | 57 | 0.32 | 0.76 | 13 | empty |
Interfaces
1 interface between chains.
- A–B · 2242 Ų buried · 16 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 9 modified (engineered).
Compared structures
- 2QIB · Crystal structure of 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 Q9KZ14
- Elsewhere: RCSB PDB 2QIB · PDBe 2QIB · UniProt Q9KZ14
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