MolNFT v1 · #80314 · protein
Crystal structure of leut in the outward-open conformation in complex with Fab
3TT1 · Leucine transporter leut: “Crystal structure of leut in the outward-open conformation in complex with Fab”. X-ray diffraction, 2 ligands (SOG, NA), 20 pockets (best druggability 0.84). MolNFT v1 #80314 on GenesisL1: 3D structure…
- PDB
- 3TT1
- Type
- protein
- Length
- 1,850 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Leucine transporter leut; Mouse monoclonal 1GG2A Fab fragment, heavy chain; Mouse…
- UniProt
- O67854
- Ligands
- SOG, NA
- Pockets
- 20 · best druggability 0.84
Structure
x-ray diffraction · 3 distinct chains · 44% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Leucine transporter leut | protein | 498 | 78% helix, 2% strand | O67854 |
| L, M | Mouse monoclonal 1GG2A Fab fragment, heavy chain | protein | 215 | 6% helix, 53% strand | — |
| H, I | Mouse monoclonal 1GG2A Fab fragment, kappa light chain | protein | 212 | 3% helix, 51% strand | — |
Ligands and binding sites
- SOG · octyl 1-thio-beta-D-glucopyranoside · ligand · 5 copies · chains A, B
- NA · Sodium ion · metal · 4 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 242 | 0.84 | 0.96 | 28 | SOG |
| 2 | 703 | 0.76 | 0.81 | 59 | empty |
| 3 | 639 | 0.76 | 0.82 | 50 | empty |
| 4 | 239 | 0.62 | 0.80 | 26 | SOG |
| 5 | 483 | 0.59 | 0.74 | 65 | empty |
Interfaces
7 interfaces between chains.
- M–I · 1879 Ų buried · 15 hydrogen bonds · protein-protein
- L–H · 1867 Ų buried · 15 hydrogen bonds · protein-protein
- A–B · 1217 Ų buried · 0 hydrogen bonds · protein-protein
- A–I · 625 Ų buried · 7 hydrogen bonds · protein-protein
- B–H · 611 Ų buried · 5 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 disulfide (disulfide).
Compared structures
- 3TT1 · Crystal Structure of LeuT in the outward-open conformation in complex with Fab · 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 3TT1 · PDBe 3TT1 · UniProt O67854
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