Research workbench
Structural genomics, the crystal structure of a putative transcriptional regulator from rhodococcus sp. RHA1
Analyse Structural genomics, the crystal structure of a putative transcriptional… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2HKU
- Type
- protein
- Length
- 376 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- A putative transcriptional regulator
- UniProt
- Q0SB15
- Pockets
- 3 · best druggability 0.75
Structure
x-ray diffraction · 2 distinct chains · 78% helix, 1% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | A putative transcriptional regulator | protein | 191 | 78% helix, 0% strand | Q0SB15 |
| B | A putative transcriptional regulator | protein | 185 | 77% helix, 1% strand | Q0SB15 |
Ligands and binding sites
- EDO · 1,2-ethanediol · additive · 7 copies · chains A, B
- PG4 · Tetraethylene glycol · additive · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 126 | 0.75 | 0.94 | 25 | PG4 |
| 2 | 281 | 0.53 | 0.75 | 40 | EDO |
| 3 | 93 | 0.39 | 0.77 | 13 | empty |
Interfaces
1 interface between chains.
- A–B · 1540 Ų buried · 14 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 modified (engineered).
Compared structures
- 2HKU · Structural Genomics, the crystal structure of a putative transcriptional regulator from… · 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 Q0SB15
- Elsewhere: RCSB PDB 2HKU · PDBe 2HKU · UniProt Q0SB15
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.