Research workbench
Crystal structure of luxp from vibrio harveyi complexed with autoinducer-2
Analyse Crystal structure of luxp from vibrio harveyi complexed with autoinducer-2 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1JX6
- Type
- protein
- Length
- 338 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Luxp protein
- UniProt
- P54300
- Ligands
- AI2, CA
- Pockets
- 3 · best druggability 0.74
Structure
x-ray diffraction · 1 distinct chain · 47% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Luxp protein | protein | 338 | 47% helix, 18% strand | P54300 |
Ligands and binding sites
- AI2 · 3A-methyl-5,6-dihydro-furo[2,3-d][1,3,2]dioxaborole-2,2,6,6A-tetraol · ligand · chains A
- CA · Calcium ion · metal · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 164 | 0.74 | 0.92 | 30 | AI2 |
| 2 | 102 | 0.35 | 0.74 | 28 | empty |
| 3 | 59 | 0.26 | 0.73 | 14 | empty |
Compared structures
- 1JX6 · Crystal structure of luxp from vibrio harveyi complexed with autoinducer-2 · the same entry in another collection · chain A against A, TM-score 1.00
- P54300 · AlphaFold monomer V2.0 prediction for autoinducer 2-binding periplasmic protein luxp… · a predicted model of the same protein · chain A against A, TM-score 0.99
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 P54300
- Elsewhere: RCSB PDB 1JX6 · PDBe 1JX6 · UniProt P54300
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