MolNFT v1 · #173845 · protein
ASCT2 in the presence of the inhibitor lc-bpe (position "up") in the outward-open conformation.
7BCQ · Neutral amino acid transporter B(0): “ASCT2 in the presence of the inhibitor lc-bpe (position "up") in the outward-open conformation.”. Electron microscopy, 1 ligand (TG2), 20 pockets (best druggability 0.88). MolNFT v1 #173845 on…
- PDB
- 7BCQ
- Type
- protein
- Length
- 1,326 residues
- Chains
- 3
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Neutral amino acid transporter B(0)
- UniProt
- Q15758
- Ligands
- TG2
- Pockets
- 20 · best druggability 0.88
Structure
electron microscopy · 1 distinct chain · 75% helix, 4% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C | Neutral amino acid transporter B(0) | protein | 442 | 75% helix, 4% strand | Q15758 |
Ligands and binding sites
- TG2 · 4-(4-phenylphenyl)carbonyloxypyrrolidine-2-carboxylic acid · ligand · 3 copies · chains A, B, C
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 | 1040 | 0.88 | 0.88 | 46 | empty |
| 2 | 775 | 0.74 | 0.79 | 74 | TG2 |
| 3 | 780 | 0.73 | 0.78 | 73 | TG2 |
| 4 | 574 | 0.71 | 0.79 | 55 | TG2 |
| 5 | 227 | 0.60 | 0.80 | 48 | empty |
Interfaces
3 interfaces between chains.
- A–B · 1408 Ų buried · 14 hydrogen bonds · protein-protein
- B–C · 1390 Ų buried · 14 hydrogen bonds · protein-protein
- A–C · 1389 Ų buried · 14 hydrogen bonds · protein-protein
Compared structures
- 7BCQ · ASCT2 in the presence of the inhibitor Lc-BPE (position "up") in the outward-open… · the same entry in another collection · chain A against A, TM-score 1.00
- Q15758 · AlphaFold monomer V2.0 prediction for neutral amino acid transporter B(0) (Q15758) · a predicted model of the same protein · chain C against A, TM-score 0.94
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 Q15758
- Elsewhere: RCSB PDB 7BCQ · PDBe 7BCQ · UniProt Q15758
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