Research workbench
Crystal structure of carnitine transporter from escherichia COLI
Analyse Crystal structure of carnitine transporter from escherichia COLI in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2WSX
- Type
- protein
- Length
- 1,488 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- L-CARNITINE/GAMMA-butyrobetaine antiporter
- UniProt
- P31553
- Ligands
- NM2
- Pockets
- 20 · best druggability 0.81
Structure
x-ray diffraction · 1 distinct chain · 79% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C | L-CARNITINE/GAMMA-butyrobetaine antiporter | protein | 496 | 79% helix, 0% strand | P31553 |
Ligands and binding sites
- NM2 · 3-carboxy-N,N,N-trimethylpropan-1-aminium · ligand · 6 copies · chains A, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 10 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1081 | 0.81 | 0.81 | 65 | NM2 |
| 2 | 1061 | 0.80 | 0.81 | 71 | NM2 |
| 3 | 1103 | 0.80 | 0.81 | 70 | NM2 |
| 4 | 582 | 0.66 | 0.76 | 53 | empty |
| 5 | 258 | 0.61 | 0.79 | 33 | empty |
Interfaces
3 interfaces between chains.
- A–C · 796 Ų buried · 8 hydrogen bonds · protein-protein
- A–B · 790 Ų buried · 6 hydrogen bonds · protein-protein
- B–C · 780 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 2WSX · Crystal Structure of Carnitine Transporter from Escherichia coli · the same entry in another collection · chain A against A, TM-score 1.00
- P31553 · AlphaFold monomer V2.0 prediction for L-CARNITINE/GAMMA-butyrobetaine antiporter (P31553) · a predicted model of the same protein · chain B against A, TM-score 0.99
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 P31553
- Elsewhere: RCSB PDB 2WSX · PDBe 2WSX · UniProt P31553
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