MolNFT v1 · #80316 · protein
Crystal structure of leut in the inward-open conformation in complex with Fab
3TT3 · Leucine transporter leut: “Crystal structure of leut in the inward-open conformation in complex with Fab”. X-ray diffraction, 1 ligand (SOG), 11 pockets (best druggability 0.80). MolNFT v1 #80316 on GenesisL1: 3D structure, binding…
- PDB
- 3TT3
- Type
- protein
- Length
- 935 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Leucine transporter leut; Mouse monoclonal 1GG1 Fab fragment, heavy chain; Mouse…
- UniProt
- O67854
- Ligands
- SOG
- Pockets
- 11 · best druggability 0.80
Structure
x-ray diffraction · 3 distinct chains · 43% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Leucine transporter leut | protein | 501 | 75% helix, 1% strand | O67854 |
| L | Mouse monoclonal 1GG1 Fab fragment, heavy chain | protein | 216 | 7% helix, 52% strand | — |
| H | Mouse monoclonal 1GG1 Fab fragment, kappa light chain | protein | 218 | 6% helix, 52% strand | — |
Ligands and binding sites
- SOG · octyl 1-thio-beta-D-glucopyranoside · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
11 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1046 | 0.80 | 0.81 | 78 | empty |
| 2 | 369 | 0.73 | 0.84 | 36 | empty |
| 3 | 721 | 0.72 | 0.78 | 51 | empty |
| 4 | 606 | 0.63 | 0.75 | 67 | empty |
| 5 | 126 | 0.63 | 0.86 | 22 | empty |
Interfaces
3 interfaces between chains.
- L–H · 1707 Ų buried · 12 hydrogen bonds · protein-protein
- A–H · 812 Ų buried · 10 hydrogen bonds · protein-protein
- A–L · 287 Ų buried · 1 hydrogen bond · protein-protein
Modifications
Observed in the structure: 4 disulfide (disulfide).
Compared structures
- 3TT3 · Crystal Structure of LeuT in the inward-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 3TT3 · PDBe 3TT3 · UniProt O67854
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