MolNFT v1 · #156389 · protein
Crystal structure of plasmodium falciparum hexose transporter PFHT1 bound with C3361
6M2L · Hexose transporter 1: “Crystal structure of plasmodium falciparum hexose transporter PFHT1 bound with C3361”. X-ray diffraction, 1 ligand (F00), 12 pockets (best druggability 0.82). MolNFT v1 #156389 on GenesisL1: 3D structure…
- PDB
- 6M2L
- Type
- protein
- Length
- 895 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hexose transporter 1
- UniProt
- O97467
- Ligands
- F00
- Pockets
- 12 · best druggability 0.82
Structure
x-ray diffraction · 2 distinct chains · 82% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hexose transporter 1 | protein | 447 | 82% helix, 0% strand | O97467 |
| B | Hexose transporter 1 | protein | 448 | 81% helix, 0% strand | O97467 |
Ligands and binding sites
- F00 · (2S,3R,4S,5R,6R)-6-(hydroxymethyl)-4-undec-10-enoxy-oxane-2,3,5-triol · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
12 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1103 | 0.82 | 0.82 | 101 | F00 |
| 2 | 1119 | 0.81 | 0.82 | 96 | F00 |
| 3 | 348 | 0.71 | 0.83 | 50 | empty |
| 4 | 212 | 0.68 | 0.86 | 45 | empty |
| 5 | 64 | 0.63 | 0.92 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 530 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 6M2L · Crystal structure of Plasmodium falciparum hexose transporter PfHT1 bound with C3361 · 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 6M2L · PDBe 6M2L · UniProt O97467
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