MolNFT v1 · #187671 · protein
Crystal structure of human glucose transporter GLUT3 bound with exofacial inhibitor SA47
7SPS · Solute carrier family 2, facilitated glucose transporter…: “Crystal structure of human glucose transporter GLUT3 bound with exofacial inhibitor SA47”. X-ray diffraction, 1 ligand (A0E), 7 pockets (best druggability 0.79). MolNFT v1…
- PDB
- 7SPS
- Type
- protein
- Length
- 936 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Solute carrier family 2, facilitated glucose transporter member 3
- UniProt
- P11169
- Ligands
- A0E
- Pockets
- 7 · best druggability 0.79
Structure
x-ray diffraction · 1 distinct chain · 78% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Solute carrier family 2, facilitated glucose transporter member 3 | protein | 468 | 78% helix, 0% strand | P11169 |
Ligands and binding sites
- A0E · methyl N-[(2-{4-[4-(5-fluoro-2-methoxyphenyl)piperazin-1-yl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}phenyl)methyl]-beta-alaninate · ligand · 2 copies · chains A, B
- OLC · (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate · additive · 5 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 746 | 0.79 | 0.83 | 49 | A0E |
| 2 | 861 | 0.78 | 0.81 | 71 | A0E |
| 3 | 663 | 0.76 | 0.80 | 65 | empty |
| 4 | 185 | 0.46 | 0.74 | 25 | OLC |
| 5 | 170 | 0.45 | 0.74 | 23 | OLC |
Interfaces
1 interface between chains.
- A–B · 869 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 7SPS · Crystal structure of human glucose transporter GLUT3 bound with exofacial inhibitor SA47 · the same entry in another collection · chain A against A, TM-score 1.00
- P11169 · AlphaFold monomer V2.0 prediction for solute carrier family 2, facilitated glucose… · a predicted model of the same protein · chain B against A, TM-score 0.98
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 P11169
- Elsewhere: RCSB PDB 7SPS · PDBe 7SPS · UniProt P11169
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