MolNFT v1 · #140325 · protein
Crystal structure of the triose-PHOSPHATE/PHOSPHATE translocator in complex with 3-phosphoglycerate
5Y79 · Putative hexose phosphate translocator: “Crystal structure of the triose-PHOSPHATE/PHOSPHATE translocator in complex with 3-phosphoglycerate”. X-ray diffraction, 1 ligand (3PG), 5 pockets (best druggability 0.78). MolNFT v1 #140325…
- PDB
- 5Y79
- Type
- protein
- Length
- 610 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative hexose phosphate translocator
- UniProt
- B5AJT1
- Ligands
- 3PG
- Pockets
- 5 · best druggability 0.78
Structure
x-ray diffraction · 1 distinct chain · 80% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Putative hexose phosphate translocator | protein | 305 | 80% helix, 0% strand | B5AJT1 |
Ligands and binding sites
- 3PG · 3-phosphoglyceric acid · ligand · 2 copies · chains A, B
- OLC · (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate · additive · 32 copies · chains A, B
- FLC · Citrate anion · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 917 | 0.78 | 0.80 | 64 | OLC |
| 2 | 65 | 0.74 | 0.99 | 25 | 3PG |
| 3 | 66 | 0.73 | 0.98 | 25 | 3PG |
| 4 | 81 | 0.51 | 0.83 | 18 | OLC |
| 5 | 69 | 0.48 | 0.83 | 17 | OLC |
Interfaces
1 interface between chains.
- A–B · 822 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 5Y79 · Crystal structure of the triose-phosphate/phosphate translocator in complex with… · 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 B5AJT1
- Elsewhere: RCSB PDB 5Y79 · PDBe 5Y79 · UniProt B5AJT1
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