MolNFT v1 · #75426 · protein
Structures of the substrate-binding protein provide insights into the multiple compatible solutes binding specificities of bacillus subtilis ABC transporter opuc
3PPP · Glycine BETAINE/CARNITINE/CHOLINE-binding protein: “Structures of the substrate-binding protein provide insights into the multiple compatible solutes binding…”. X-ray diffraction, 1 ligand (BET), 4 pockets (best druggability 0.77).…
- PDB
- 3PPP
- Type
- protein
- Length
- 544 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glycine BETAINE/CARNITINE/CHOLINE-binding protein
- UniProt
- O32243
- Ligands
- BET
- Pockets
- 4 · best druggability 0.77
Structure
x-ray diffraction · 1 distinct chain · 46% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Glycine BETAINE/CARNITINE/CHOLINE-binding protein | protein | 272 | 46% helix, 21% strand | O32243 |
Ligands and binding sites
- BET · Trimethyl glycine · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1100 | 0.77 | 0.79 | 92 | empty |
| 2 | 194 | 0.63 | 0.84 | 33 | BET |
| 3 | 126 | 0.62 | 0.86 | 24 | BET |
| 4 | 75 | 0.36 | 0.76 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 539 Ų buried · 10 hydrogen bonds · protein-protein
Compared structures
- 3PPP · Structures of the substrate-binding protein provide insights into the multiple compatible… · the same entry in another collection · chain B against B, TM-score 1.00
- O32243 · AlphaFold monomer V2.0 prediction for glycine BETAINE/CARNITINE/CHOLINE-binding protein… · a predicted model of the same protein · chain B against A, TM-score 0.86
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 O32243
- Elsewhere: RCSB PDB 3PPP · PDBe 3PPP · UniProt O32243
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