Research workbench
Crystal structure of leut bound to L-leucine in space group P21 from lipid bicelles
Analyse Crystal structure of leut bound to L-leucine in space group P21 from lipid… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3USK
- Type
- protein
- Length
- 2,008 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Transporter
- UniProt
- O67854
- Ligands
- LEU, NA
- Pockets
- 20 · best druggability 0.69
Structure
x-ray diffraction · 1 distinct chain · 78% helix, 1% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Transporter | protein | 502 | 78% helix, 1% strand | O67854 |
Ligands and binding sites
- LEU · Leucine · ligand · 4 copies · chains A, B, C, D
- NA · Sodium ion · metal · 8 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 547 | 0.69 | 0.79 | 56 | empty |
| 2 | 562 | 0.69 | 0.78 | 58 | empty |
| 3 | 543 | 0.69 | 0.78 | 54 | empty |
| 4 | 552 | 0.68 | 0.78 | 55 | empty |
| 5 | 480 | 0.61 | 0.75 | 72 | empty |
Interfaces
5 interfaces between chains.
- A–B · 372 Ų buried · 6 hydrogen bonds · protein-protein
- C–D · 267 Ų buried · 1 hydrogen bond · protein-protein
- B–D · 204 Ų buried · 0 hydrogen bonds · protein-protein
- A–C · 198 Ų buried · 4 hydrogen bonds · protein-protein
- B–C · 51 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 3USK · Crystal structure of LeuT bound to L-leucine in space group P21 from lipid bicelles · the same entry in another collection · chain D against D, 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 3USK · PDBe 3USK · UniProt O67854
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