MolNFT v1 · #118106 · protein
The crystal structure of a functionally uncharacterized protein LPG0634 from legionella pneumophila subsp. pneumophila str. philadelphia 1
5ES2: “The crystal structure of a functionally uncharacterized protein LPG0634 from legionella pneumophila subsp.…”. X-ray diffraction, 1 ligand (SO4), 8 pockets (best druggability 0.66). MolNFT v1 #118106 on GenesisL1: 3D structure…
- PDB
- 5ES2
- Type
- protein
- Length
- 777 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Uncharacterized protein LPG0634
- UniProt
- Q5ZXU7
- Ligands
- SO4
- Pockets
- 8 · best druggability 0.66
Structure
x-ray diffraction · 2 distinct chains · 64% helix, 2% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Uncharacterized protein LPG0634 | protein | 388 | 65% helix, 2% strand | Q5ZXU7 |
| B | Uncharacterized protein LPG0634 | protein | 389 | 63% helix, 2% strand | Q5ZXU7 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 14 copies · chains A, B
- ACT · Acetate ion · additive · 6 copies · chains A, B
- EDO · 1,2-ethanediol · additive · 3 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 596 | 0.66 | 0.76 | 64 | ACT, SO4 |
| 2 | 548 | 0.65 | 0.76 | 56 | ACT |
| 3 | 138 | 0.41 | 0.74 | 19 | empty |
| 4 | 131 | 0.40 | 0.74 | 19 | empty |
| 5 | 106 | 0.40 | 0.76 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 100 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 24 modified (engineered).
Compared structures
- 5ES2 · The crystal structure of a functionally uncharacterized protein LPG0634 from Legionella… · 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 Q5ZXU7
- Elsewhere: RCSB PDB 5ES2 · PDBe 5ES2 · UniProt Q5ZXU7
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