Research workbench
Crystal structure of leut in lipidic cubic phase at pH 5
Analyse Crystal structure of leut in lipidic cubic phase at pH 5 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7DIX
- Type
- protein
- Length
- 992 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- NA(+):NEUROTRANSMITTER symporter (snf family)
- UniProt
- O67854
- Ligands
- MSE, NA
- Pockets
- 12 · best druggability 0.81
Structure
x-ray diffraction · 2 distinct chains · 79% helix, 1% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | NA(+):NEUROTRANSMITTER symporter (snf family) | protein | 496 | 79% helix, 1% strand | O67854 |
| B | NA(+):NEUROTRANSMITTER symporter (snf family) | protein | 496 | 79% helix, 1% strand | O67854 |
Ligands and binding sites
- MSE · Selenomethionine · ligand · 2 copies · chains A, B
- NA · Sodium ion · metal · 3 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
12 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 220 | 0.81 | 0.94 | 23 | empty |
| 2 | 673 | 0.74 | 0.80 | 67 | MSE |
| 3 | 512 | 0.70 | 0.80 | 50 | empty |
| 4 | 286 | 0.59 | 0.77 | 30 | empty |
| 5 | 100 | 0.49 | 0.81 | 13 | empty |
Interfaces
1 interface between chains.
- A–B · 1024 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 7DIX · Crystal structure of LeuT in lipidic cubic phase at pH 5 · 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 O67854
- Elsewhere: RCSB PDB 7DIX · PDBe 7DIX · UniProt O67854
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