MolNFT v1 · #155737 · protein
Crystal structure of a cysteine-pair mutant (P10C-S291C) of a bacterial bile acid transporter in an inward-facing state complexed with glycine and sodium
6LGY · Transporter, SODIUM/BILE acid symporter family: “Crystal structure of a cysteine-pair mutant (P10C-S291C) of a bacterial bile acid transporter in an…”. X-ray diffraction, 3 ligands (GLY, A6L, NA), 3 pockets (best druggability 0.71).…
- PDB
- 6LGY
- Type
- protein
- Length
- 311 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Transporter, SODIUM/BILE acid symporter family
- UniProt
- A0A380PV03
- Ligands
- GLY, A6L, NA
- Pockets
- 3 · best druggability 0.71
Structure
x-ray diffraction · 1 distinct chain · 85% helix, 1% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Transporter, SODIUM/BILE acid symporter family | protein | 311 | 85% helix, 1% strand | A0A380PV03 |
Ligands and binding sites
- GLY · Glycine · ligand · chains A
- A6L · 2,3-dihydroxypropyl (9Z)-octadec-9-enoate · ligand · chains A
- NA · Sodium ion · metal · 2 copies · chains A
- 2PE · Nonaethylene glycol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 309 | 0.71 | 0.84 | 39 | empty |
| 2 | 87 | 0.44 | 0.80 | 18 | 2PE |
| 3 | 77 | 0.40 | 0.77 | 14 | empty |
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- 6LGY · Crystal structure of a cysteine-pair mutant (P10C-S291C) 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 6LGY · PDBe 6LGY · UniProt A0A380PV03
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