Research workbench
Crystal structure of the G26C/E290S mutant of leut
Analyse Crystal structure of the G26C/E290S mutant of leut in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7DJ2
- Type
- protein
- Length
- 986 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
- 13 · best druggability 0.81
Structure
x-ray diffraction · 2 distinct chains · 78% helix, 1% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | NA(+):NEUROTRANSMITTER symporter (snf family) | protein | 492 | 77% helix, 1% strand | O67854 |
| B | NA(+):NEUROTRANSMITTER symporter (snf family) | protein | 494 | 78% helix, 1% strand | O67854 |
Ligands and binding sites
- LEU · Leucine · ligand · 2 copies · chains A, B
- NA · Sodium ion · metal · 2 copies · chains A, B
- BOG · octyl beta-D-glucopyranoside · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
13 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 206 | 0.81 | 0.94 | 23 | empty |
| 2 | 431 | 0.75 | 0.84 | 60 | LEU |
| 3 | 487 | 0.74 | 0.82 | 63 | LEU |
| 4 | 302 | 0.66 | 0.81 | 29 | empty |
| 5 | 64 | 0.44 | 0.81 | 12 | empty |
Interfaces
1 interface between chains.
- A–B · 1332 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 7DJ2 · Crystal structure of the G26C/E290S mutant of LeuT · the same entry in another collection · chain B against B, 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 7DJ2 · PDBe 7DJ2 · UniProt O67854
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