MolNFT v1 · #176315 · protein
Crystal structure of leut in lipidic cubic phase at pH 7
7DII · NA(+):NEUROTRANSMITTER symporter (snf family): “Crystal structure of leut in lipidic cubic phase at pH 7”. X-ray diffraction, 2 ligands (LEU, NA), 11 pockets (best druggability 0.75). MolNFT v1 #176315 on GenesisL1: 3D structure…
- PDB
- 7DII
- Type
- protein
- Length
- 980 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- NA(+):NEUROTRANSMITTER symporter (snf family)
- UniProt
- O67854
- Ligands
- LEU, NA
- Pockets
- 11 · best druggability 0.75
Structure
x-ray diffraction · 2 distinct chains · 78% helix, 2% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | NA(+):NEUROTRANSMITTER symporter (snf family) | protein | 489 | 79% helix, 2% strand | O67854 |
| B | NA(+):NEUROTRANSMITTER symporter (snf family) | protein | 491 | 78% helix, 2% strand | O67854 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
11 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 822 | 0.75 | 0.78 | 68 | empty |
| 2 | 525 | 0.69 | 0.79 | 51 | empty |
| 3 | 440 | 0.67 | 0.79 | 49 | empty |
| 4 | 95 | 0.48 | 0.80 | 16 | empty |
| 5 | 58 | 0.34 | 0.77 | 13 | empty |
Interfaces
1 interface between chains.
- A–B · 492 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 7DII · Crystal structure of LeuT in lipidic cubic phase at pH 7 · 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 7DII · PDBe 7DII · UniProt O67854
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