Research workbench
In meso structure of alginate transporter, alge, from pseudomonas aeruginosa, PAO1
Analyse In meso structure of alginate transporter, alge, 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
- 4AFK
- Type
- protein
- Length
- 430 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Alginate production protein alge
- UniProt
- P18895
- Ligands
- 78M, 78N, NA, CA
- Pockets
- 3 · best druggability 0.77
Structure
x-ray diffraction · 1 distinct chain · 1% helix, 57% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Alginate production protein alge | protein | 430 | 1% helix, 57% strand | P18895 |
Ligands and binding sites
- 78M · (2S)-2,3-dihydroxypropyl(7z)-pentadec-7-enoate · ligand · 3 copies · chains A
- 78N · (2R)-2,3-dihydroxypropyl(7z)-pentadec-7-enoate · ligand · 3 copies · chains A
- NA · Sodium ion · metal · 2 copies · chains A
- CA · Calcium ion · metal · chains A
- LDA · Lauryl dimethylamine-N-oxide · additive · 15 copies · chains A
- PE5 · 3,6,9,12,15,18,21,24-octaoxahexacosan-1-ol · additive · 2 copies · chains A
- FLC · Citrate anion · 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 | 880 | 0.77 | 0.81 | 85 | PE5 |
| 2 | 471 | 0.68 | 0.79 | 38 | FLC |
| 3 | 336 | 0.64 | 0.80 | 46 | empty |
Compared structures
- 4AFK · In meso structure of alginate transporter, AlgE, from Pseudomonas aeruginosa, PAO1 · the same entry in another collection · chain A against A, TM-score 1.00
- P18895 · AlphaFold monomer V2.0 prediction for alginate production protein alge (P18895) · a predicted model of the same protein · 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 P18895
- Elsewhere: RCSB PDB 4AFK · PDBe 4AFK · UniProt P18895
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