MolNFT v2 · #156338 · protein
Crystal structure of Salmonella enterica sugar-binding protein MalE
6L3E · Maltodextrin-binding protein: “Crystal structure of Salmonella enterica sugar-binding protein MalE”. X-ray diffraction at 1.6, 4 ligands (2ME, GLC, BGC), 4 pockets (best druggability 0.72). MolNFT v2 #156338 on GenesisL1: 3D…
- PDB
- 6L3E
- Type
- protein
- Length
- 365 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 1.6
- Source
- Salmonella enterica
- Molecule
- Maltodextrin-binding protein
- UniProt
- A0A0W3SG76
- Ligands
- 2ME, GLC, BGC, MG
- Pockets
- 4 · best druggability 0.72
Structure
x-ray diffraction · resolution 1.6 · 1 distinct chain · 45% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Maltodextrin-binding protein | protein | 365 | 45% helix, 20% strand | A0A0W3SG76 |
Ligands and binding sites
- 2ME · Methoxyethane · ligand · 4 copies · chains A
- GLC · alpha-D-glucopyranose · sugar · 4 copies · chains A
- BGC · beta-D-glucopyranose · sugar · chains A
- MG · Magnesium ion · metal · 3 copies · chains A
- TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · 2 copies · chains A
- GOL · Glycerol · additive · 2 copies · chains A
- MPD · (4S)-2-methyl-2,4-pentanediol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 401 | 0.72 | 0.83 | 32 | GLC, 2ME, MG |
| 2 | 55 | 0.40 | 0.81 | 15 | empty |
| 3 | 58 | 0.31 | 0.75 | 13 | 2ME |
| 4 | 58 | 0.26 | 0.72 | 15 | GOL |
Compared structures
- 6L3E · Crystal structure of salmonella enterica sugar-binding protein male · 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 A0A0W3SG76
- Elsewhere: RCSB PDB 6L3E · PDBe 6L3E · UniProt A0A0W3SG76
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