MolNFT v1 · #68885 · protein
Crystal structure of laci transcriptional regulator from rhodococcus species.
3K9C · Transcriptional regulator, laci family protein: “Crystal structure of laci transcriptional regulator from rhodococcus species.”. X-ray diffraction, 4 pockets (best druggability 0.79). MolNFT v1 #68885 on GenesisL1: 3D structure…
- PDB
- 3K9C
- Type
- protein
- Length
- 539 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Transcriptional regulator, laci family protein
- UniProt
- Q0S5Y9
- Pockets
- 4 · best druggability 0.79
Structure
x-ray diffraction · 2 distinct chains · 40% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Transcriptional regulator, laci family protein | protein | 268 | 39% helix, 23% strand | Q0S5Y9 |
| B | Transcriptional regulator, laci family protein | protein | 271 | 41% helix, 23% strand | Q0S5Y9 |
Ligands and binding sites
- GOL · Glycerol · additive · 2 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 | 181 | 0.79 | 0.95 | 42 | empty |
| 2 | 194 | 0.63 | 0.83 | 37 | GOL |
| 3 | 204 | 0.62 | 0.82 | 31 | GOL |
| 4 | 55 | 0.32 | 0.76 | 13 | empty |
Interfaces
1 interface between chains.
- A–B · 1661 Ų buried · 23 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 14 modified (engineered).
Compared structures
- 3K9C · Crystal structure of LacI Transcriptional regulator from Rhodococcus species. · 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 Q0S5Y9
- Elsewhere: RCSB PDB 3K9C · PDBe 3K9C · UniProt Q0S5Y9
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