Research workbench
Crystal structure of lasr lbd-qsla complex from pseudomonas aeruginosa
Analyse Crystal structure of lasr lbd-qsla complex from pseudomonas aeruginosa in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4NG2
- Type
- protein
- Length
- 1,368 residues
- Chains
- 12
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Transcriptional activator protein lasr; Uncharacterized protein
- UniProt
- P25084, Q9I494
- Ligands
- OHN
- Pockets
- 20 · best druggability 0.82
Structure
x-ray diffraction · 3 distinct chains · 55% helix, 11% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Transcriptional activator protein lasr | protein | 166 | 54% helix, 16% strand | P25084 |
| E, H, I, L | Uncharacterized protein | protein | 94 | 55% helix, 9% strand | Q9I494 |
| F, G, J, K | Uncharacterized protein | protein | 82 | 56% helix, 5% strand | Q9I494 |
Ligands and binding sites
- OHN · N-3-oxo-dodecanoyl-L-homoserine lactone · ligand · 4 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 16 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 172 | 0.82 | 0.97 | 30 | OHN |
| 2 | 177 | 0.82 | 0.96 | 30 | OHN |
| 3 | 195 | 0.81 | 0.95 | 30 | OHN |
| 4 | 153 | 0.80 | 0.96 | 30 | OHN |
| 5 | 834 | 0.73 | 0.78 | 87 | empty |
Interfaces
30 interfaces between chains.
- E–F · 988 Ų buried · 15 hydrogen bonds · protein-protein
- I–J · 948 Ų buried · 13 hydrogen bonds · protein-protein
- K–L · 947 Ų buried · 11 hydrogen bonds · protein-protein
- G–H · 944 Ų buried · 10 hydrogen bonds · protein-protein
- C–I · 800 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
- 4NG2 · Crystal structure of LasR LBD-QslA complex from Pseudomonas aeruginosa · the same entry in another collection · chain L against L, 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 P25084
- Every structure of UniProt Q9I494
- Elsewhere: RCSB PDB 4NG2 · PDBe 4NG2 · UniProt P25084 · UniProt Q9I494
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