MolNFT v1 · #68510 · protein
Crystal structure of laci transcriptional regulator from lactobacillus brevis
3JY6 · Transcriptional regulator, laci family: “Crystal structure of laci transcriptional regulator from lactobacillus brevis”. X-ray diffraction, 1 ligand (CL), 8 pockets (best druggability 0.83). MolNFT v1 #68510 on GenesisL1: 3D…
- PDB
- 3JY6
- Type
- protein
- Length
- 1,037 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Transcriptional regulator, laci family
- UniProt
- Q03T70
- Ligands
- CL
- Pockets
- 8 · best druggability 0.83
Structure
x-ray diffraction · 4 distinct chains · 40% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Transcriptional regulator, laci family | protein | 263 | 38% helix, 22% strand | Q03T70 |
| B | Transcriptional regulator, laci family | protein | 259 | 42% helix, 22% strand | Q03T70 |
| C | Transcriptional regulator, laci family | protein | 254 | 40% helix, 21% strand | Q03T70 |
| D | Transcriptional regulator, laci family | protein | 261 | 39% helix, 23% strand | Q03T70 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1147 | 0.83 | 0.84 | 132 | EDO |
| 2 | 944 | 0.82 | 0.84 | 88 | empty |
| 3 | 397 | 0.56 | 0.74 | 31 | empty |
| 4 | 60 | 0.50 | 0.86 | 16 | empty |
| 5 | 87 | 0.39 | 0.77 | 18 | empty |
Interfaces
3 interfaces between chains.
- A–B · 1644 Ų buried · 19 hydrogen bonds · protein-protein
- C–D · 1629 Ų buried · 17 hydrogen bonds · protein-protein
- B–C · 393 Ų buried · 9 hydrogen bonds · protein-protein
Compared structures
- 3JY6 · Crystal structure of LacI Transcriptional regulator from Lactobacillus brevis · 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 Q03T70
- Elsewhere: RCSB PDB 3JY6 · PDBe 3JY6 · UniProt Q03T70
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