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Crystal structure of a cysteine-pair mutant (Y113C-P190C) of a bacterial bile acid transporter trapped in an outward-facing conformation
Analyse Crystal structure of a cysteine-pair mutant (Y113C-P190C) of a bacterial bile… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6LH1
- Type
- protein
- Length
- 300 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 2.861
- Source
- Yersinia frederiksenii
- Molecule
- Transporter, sodium/bile acid symporter family
- UniProt
- A0A380PV03
- Ligands
- A6L
- Pockets
- 4 · best druggability 0.71
Structure
x-ray diffraction · resolution 2.861 · 1 distinct chain · 84% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Transporter, sodium/bile acid symporter family | protein | 300 | 84% helix, 0% strand | A0A380PV03 |
Ligands and binding sites
- A6L · 2,3-dihydroxypropyl (9Z)-octadec-9-enoate · ligand · 2 copies · chains A
- CIT · Citric acid · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 471 | 0.71 | 0.81 | 58 | CIT |
| 2 | 109 | 0.42 | 0.76 | 16 | empty |
| 3 | 104 | 0.35 | 0.74 | 22 | empty |
| 4 | 64 | 0.29 | 0.73 | 14 | empty |
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- 6LH1 · Crystal structure of a cysteine-pair mutant (Y113C-P190C) of a bacterial bile acid… · 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 A0A380PV03
- Elsewhere: RCSB PDB 6LH1 · PDBe 6LH1 · UniProt A0A380PV03
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