MolNFT v1 · #172752 · protein
In meso structure of the alginate exporter, alge, from pseudomonas aeruginosa in 9.8 monoacylglycerol
7ACG · Alginate biosynthesis protein alge: “In meso structure of the alginate exporter, alge, from pseudomonas aeruginosa in 9.8 monoacylglycerol”. X-ray diffraction, 3 ligands (LH9, NA, SO4), 3 pockets (best druggability 0.79). MolNFT v1…
- PDB
- 7ACG
- Type
- protein
- Length
- 457 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Alginate biosynthesis protein alge
- UniProt
- A0A080VSR9
- Ligands
- LH9, NA, SO4
- Pockets
- 3 · best druggability 0.79
Structure
x-ray diffraction · 1 distinct chain · 1% helix, 54% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Alginate biosynthesis protein alge | protein | 457 | 1% helix, 54% strand | A0A080VSR9 |
Ligands and binding sites
- LH9 · [(2~{S})-2,3-bis(oxidanyl)propyl] heptadec-9-enoate · ligand · 10 copies · chains A
- NA · Sodium ion · metal · 2 copies · chains A
- SO4 · Sulfate ion · ion · chains A
- 1PE · Pentaethylene glycol · additive · chains A
- C8E · (hydroxyethyloxy)tri(ethyloxy)octane · additive · chains A
- CIT · Citric acid · additive · chains A
- PG0 · 2-(2-methoxyethoxy)ethanol · additive · 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, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 129 | 0.79 | 0.97 | 29 | CIT |
| 2 | 823 | 0.78 | 0.82 | 94 | SO4, PG0 |
| 3 | 835 | 0.74 | 0.79 | 81 | 1PE |
Compared structures
- 7ACG · In meso structure of the alginate exporter, AlgE, from Pseudomonas aeruginosa in 9.8… · 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 A0A080VSR9
- Elsewhere: RCSB PDB 7ACG · PDBe 7ACG · UniProt A0A080VSR9
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