MolNFT v1 · #49325 · protein
Crystal structure of transcriptional regulator RHA06399 from rhodococcus sp. RHA1
2QKO · Possible transcriptional regulator, tetr family protein: “Crystal structure of transcriptional regulator RHA06399 from rhodococcus sp. RHA1”. X-ray diffraction, 6 pockets (best druggability 0.81). MolNFT v1 #49325 on GenesisL1: 3D…
- PDB
- 2QKO
- Type
- protein
- Length
- 702 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Possible transcriptional regulator, tetr family protein
- UniProt
- Q0S912
- Pockets
- 6 · best druggability 0.81
Structure
x-ray diffraction · 2 distinct chains · 74% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Possible transcriptional regulator, tetr family protein | protein | 174 | 72% helix, 0% strand | Q0S912 |
| B, C, D | Possible transcriptional regulator, tetr family protein | protein | 176 | 76% helix, 0% strand | Q0S912 |
Pockets
6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 816 | 0.81 | 0.84 | 72 | empty |
| 2 | 822 | 0.81 | 0.83 | 77 | empty |
| 3 | 183 | 0.73 | 0.90 | 34 | empty |
| 4 | 198 | 0.45 | 0.75 | 24 | empty |
| 5 | 64 | 0.30 | 0.74 | 16 | empty |
Interfaces
6 interfaces between chains.
- A–B · 2238 Ų buried · 26 hydrogen bonds · protein-protein
- C–D · 2230 Ų buried · 25 hydrogen bonds · protein-protein
- B–D · 303 Ų buried · 2 hydrogen bonds · protein-protein
- A–C · 303 Ų buried · 2 hydrogen bonds · protein-protein
- A–D · 294 Ų buried · 9 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 12 modified (engineered).
Compared structures
- 2QKO · Crystal structure of transcriptional regulator RHA06399 from Rhodococcus sp. RHA1 · 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 Q0S912
- Elsewhere: RCSB PDB 2QKO · PDBe 2QKO · UniProt Q0S912
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