Research workbench
Crystal structure of glycine BETAINE/CARNITINE/CHOLINE ABC transporter
Analyse Crystal structure of glycine BETAINE/CARNITINE/CHOLINE ABC transporter in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3O66
- Type
- protein
- Length
- 546 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glycine BETAINE/CARNITINE/CHOLINE ABC transporter
- UniProt
- Q99RI5
- Pockets
- 4 · best druggability 0.75
Structure
x-ray diffraction · 2 distinct chains · 46% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Glycine BETAINE/CARNITINE/CHOLINE ABC transporter | protein | 274 | 46% helix, 19% strand | Q99RI5 |
| B | Glycine BETAINE/CARNITINE/CHOLINE ABC transporter | protein | 272 | 47% helix, 19% strand | Q99RI5 |
Ligands and binding sites
- PGE · Triethylene glycol · additive · 2 copies · chains A, B
- ACT · Acetate ion · additive · 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 | 601 | 0.75 | 0.82 | 54 | empty |
| 2 | 612 | 0.75 | 0.82 | 59 | empty |
| 3 | 270 | 0.53 | 0.75 | 31 | PGE, ACT |
| 4 | 236 | 0.49 | 0.74 | 28 | PGE, ACT |
Interfaces
1 interface between chains.
- A–B · 800 Ų buried · 14 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 14 modified (engineered).
Compared structures
- 3O66 · Crystal structure of glycine betaine/carnitine/choline ABC transporter · 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 Q99RI5
- Elsewhere: RCSB PDB 3O66 · PDBe 3O66 · UniProt Q99RI5
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