MolNFT v1 · #156369 · protein
Crystal structure of plasmodium falciparum hexose transporter PFHT1 bound with glucose
6M20 · Hexose transporter 1: “Crystal structure of plasmodium falciparum hexose transporter PFHT1 bound with glucose”. X-ray diffraction, 2 ligands (BNG, BGC), 20 pockets (best druggability 0.83). MolNFT v1 #156369 on GenesisL1: 3D…
- PDB
- 6M20
- Type
- protein
- Length
- 1,908 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hexose transporter 1
- UniProt
- O97467
- Ligands
- BNG, BGC
- Pockets
- 20 · best druggability 0.83
Structure
x-ray diffraction · 3 distinct chains · 77% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hexose transporter 1 | protein | 476 | 77% helix, 0% strand | O97467 |
| B, D | Hexose transporter 1 | protein | 478 | 77% helix, 0% strand | O97467 |
| C | Hexose transporter 1 | protein | 476 | 77% helix, 0% strand | O97467 |
Ligands and binding sites
- BNG · nonyl beta-D-glucopyranoside · ligand · 13 copies · chains A, B, C, D
- BGC · beta-D-glucopyranose · sugar · 4 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, 16 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 661 | 0.83 | 0.88 | 70 | BGC, BNG |
| 2 | 700 | 0.83 | 0.87 | 74 | BGC, BNG |
| 3 | 614 | 0.82 | 0.87 | 64 | BGC, BNG |
| 4 | 554 | 0.79 | 0.85 | 54 | BNG |
| 5 | 198 | 0.79 | 0.93 | 27 | BNG |
Interfaces
5 interfaces between chains.
- C–D · 569 Ų buried · 0 hydrogen bonds · protein-protein
- A–B · 521 Ų buried · 1 hydrogen bond · protein-protein
- A–C · 313 Ų buried · 4 hydrogen bonds · protein-protein
- B–C · 174 Ų buried · 3 hydrogen bonds · protein-protein
- B–D · 108 Ų buried · 2 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 disulfide (disulfide).
Compared structures
- 6M20 · Crystal structure of Plasmodium falciparum hexose transporter PfHT1 bound with glucose · 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 O97467
- Elsewhere: RCSB PDB 6M20 · PDBe 6M20 · UniProt O97467
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