MolNFT v1 · #100782 · protein
Crystal structure of the sodium bile acid symporter from yersinia frederiksenii
4N7W · Transporter, SODIUM/BILE acid symporter family: “Crystal structure of the sodium bile acid symporter from yersinia frederiksenii”. X-ray diffraction, 1 ligand (MPG), 5 pockets (best druggability 0.80). MolNFT v1 #100782 on…
- PDB
- 4N7W
- Type
- protein
- Length
- 611 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Transporter, SODIUM/BILE acid symporter family
- UniProt
- C4ST46
- Ligands
- MPG
- Pockets
- 5 · best druggability 0.80
Structure
x-ray diffraction · 2 distinct chains · 83% helix, 1% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Transporter, SODIUM/BILE acid symporter family | protein | 307 | 84% helix, 1% strand | C4ST46 |
| B | Transporter, SODIUM/BILE acid symporter family | protein | 304 | 82% helix, 1% strand | C4ST46 |
Ligands and binding sites
- MPG · [(Z)-octadec-9-enyl] (2R)-2,3-bis(oxidanyl)propanoate · ligand · 2 copies · chains A, B
- CIT · Citric acid · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 497 | 0.80 | 0.87 | 56 | CIT |
| 2 | 452 | 0.80 | 0.87 | 55 | CIT |
| 3 | 707 | 0.70 | 0.76 | 45 | empty |
| 4 | 122 | 0.46 | 0.77 | 17 | empty |
| 5 | 101 | 0.44 | 0.78 | 16 | MPG |
Interfaces
1 interface between chains.
- A–B · 627 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 4N7W · Crystal Structure of the sodium bile acid symporter from Yersinia frederiksenii · 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 C4ST46
- Elsewhere: RCSB PDB 4N7W · PDBe 4N7W · UniProt C4ST46
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