MolNFT v1 · #96888 · protein
Crystal structure of a putative secreted protein (LPG1979) from legionella pneumophila subsp. pneumophila str. philadelphia 1 at 2.65 a resolution
4JX2 · Hypothetical protein: “Crystal structure of a putative secreted protein (LPG1979) from legionella pneumophila subsp. pneumophila…”. X-ray diffraction, 2 ligands (SO4, CL), 5 pockets (best druggability 0.78). MolNFT v1 #96888 on…
- PDB
- 4JX2
- Type
- protein
- Length
- 801 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hypothetical protein
- UniProt
- Q5ZU29
- Ligands
- SO4, CL
- Pockets
- 5 · best druggability 0.78
Structure
x-ray diffraction · 2 distinct chains · 49% helix, 8% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hypothetical protein | protein | 402 | 49% helix, 8% strand | Q5ZU29 |
| B | Hypothetical protein | protein | 399 | 49% helix, 8% strand | Q5ZU29 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 12 copies · chains A, B
- CL · Chloride ion · ion · 3 copies · chains A, B
- PGE · Triethylene glycol · additive · 4 copies · chains A, B
- 1PE · Pentaethylene glycol · additive · 3 copies · chains A, B
- PEG · Di(hydroxyethyl)ether · additive · 3 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1103 | 0.78 | 0.80 | 81 | PGE, SO4, PEG |
| 2 | 1055 | 0.78 | 0.80 | 83 | CL, SO4 |
| 3 | 461 | 0.76 | 0.85 | 68 | SO4, PGE |
| 4 | 71 | 0.43 | 0.81 | 21 | empty |
| 5 | 74 | 0.36 | 0.77 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 5580 Ų buried · 52 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 30 modified (engineered).
Compared structures
- 4JX2 · Crystal structure of a putative secreted protein (lpg1979) from Legionella pneumophila… · 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 Q5ZU29
- Elsewhere: RCSB PDB 4JX2 · PDBe 4JX2 · UniProt Q5ZU29
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