Research workbench
Structures of the substrate-binding protein provide insights into the multiple compatible solutes binding specificities of bacillus subtilis ABC transporter opuc
Analyse Structures of the substrate-binding protein provide insights into the multiple… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3PPR
- Type
- protein
- Length
- 542 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
- 4CS
- Pockets
- 4 · best druggability 0.77
Structure
x-ray diffraction · 1 distinct chain · 47% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Glycine BETAINE/CARNITINE/CHOLINE-binding protein | protein | 271 | 47% helix, 19% strand | O32243 |
Ligands and binding sites
- 4CS · (4S)-2-methyl-1,4,5,6-tetrahydropyrimidine-4-carboxylic acid · 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 | 1080 | 0.77 | 0.80 | 84 | empty |
| 2 | 192 | 0.65 | 0.84 | 30 | 4CS |
| 3 | 213 | 0.64 | 0.83 | 35 | 4CS |
| 4 | 73 | 0.35 | 0.76 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 557 Ų buried · 12 hydrogen bonds · protein-protein
Compared structures
- 3PPR · Structures of the substrate-binding protein provide insights into the multiple compatible… · the same entry in another collection · chain A against A, 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 0.87
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 3PPR · PDBe 3PPR · UniProt O32243
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