MolNFT v1 · #29721 · protein
Crystal structure of the apo form of vibrio harveyi luxp complexed with the periplasmic domain of luxq
1ZHH · Autoinducer 2-binding periplasmic protein luxp: “Crystal structure of the apo form of vibrio harveyi luxp complexed with the periplasmic domain of luxq”. X-ray diffraction, 7 pockets (best druggability 0.64). MolNFT v1 #29721 on…
- PDB
- 1ZHH
- Type
- protein
- Length
- 552 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Autoinducer 2-binding periplasmic protein luxp; Autoinducer 2 sensor KINASE/PHOSPHATASE…
- UniProt
- P54300, P54302
- Pockets
- 7 · best druggability 0.64
Structure
x-ray diffraction · 2 distinct chains · 43% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Autoinducer 2-binding periplasmic protein luxp | protein | 344 | 46% helix, 19% strand | P54300 |
| B | Autoinducer 2 sensor KINASE/PHOSPHATASE luxq | protein | 208 | 38% helix, 33% strand | P54302 |
Ligands and binding sites
- NHE · 2-[N-cyclohexylamino]ethane sulfonic acid · additive · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 309 | 0.64 | 0.81 | 36 | empty |
| 2 | 309 | 0.61 | 0.79 | 30 | NHE |
| 3 | 439 | 0.60 | 0.75 | 53 | empty |
| 4 | 54 | 0.38 | 0.80 | 10 | empty |
| 5 | 67 | 0.32 | 0.75 | 14 | empty |
Interfaces
1 interface between chains.
- A–B · 1169 Ų buried · 13 hydrogen bonds · protein-protein
Compared structures
- 1ZHH · Crystal Structure of the Apo Form of Vibrio Harveyi LUXP Complexed with the Periplasmic… · the same entry in another collection · chain A against A, TM-score 1.00
- P54302 · AlphaFold monomer V2.0 prediction for autoinducer 2 sensor KINASE/PHOSPHATASE luxq… · a predicted model of the same protein · chain B against A, TM-score 0.98
- 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 0.84
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
- Every structure of UniProt P54302
- Elsewhere: RCSB PDB 1ZHH · PDBe 1ZHH · UniProt P54300 · UniProt P54302
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