Research workbench
Crystal structure of a tetr-family transcriptional regulator (HI0893) from haemophilus influenzae rd at 2.35 a resolution
Analyse Crystal structure of a tetr-family transcriptional regulator (HI0893) from… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3QKX
- Type
- protein
- Length
- 364 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Uncharacterized hth-type transcriptional regulator HI_0893
- UniProt
- P44923
- Ligands
- SO4, CL
- Pockets
- 1 · best druggability 0.84
Structure
x-ray diffraction · 2 distinct chains · 71% helix, 1% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Uncharacterized hth-type transcriptional regulator HI_0893 | protein | 183 | 69% helix, 1% strand | P44923 |
| B | Uncharacterized hth-type transcriptional regulator HI_0893 | protein | 181 | 73% helix, 1% strand | P44923 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 8 copies · chains A, B
- CL · Chloride ion · ion · chains A, B
- EDO · 1,2-ethanediol · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1111 | 0.84 | 0.85 | 94 | EDO, CL |
Interfaces
1 interface between chains.
- A–B · 1132 Ų buried · 14 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 10 modified (engineered).
Compared structures
- 3QKX · Crystal structure of a TetR-family transcriptional regulator (HI0893) from Haemophilus… · the same entry in another collection · chain A against A, TM-score 1.00
- P44923 · AlphaFold monomer V2.0 prediction for uncharacterized hth-type transcriptional regulator… · a predicted model of the same protein · chain A against A, TM-score 0.98
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 P44923
- Elsewhere: RCSB PDB 3QKX · PDBe 3QKX · UniProt P44923
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