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Crystal structure of 6-phosphogluconolactonase from trypanosoma brucei complexed with 6-phosphogluconic acid
Analyse Crystal structure of 6-phosphogluconolactonase from trypanosoma brucei… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3E7F
- Type
- protein
- Length
- 523 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 6-phosphogluconolactonase
- EC
- 3.1.1.17
- UniProt
- Q9GRG6
- Ligands
- 6PG, ZN
- Pockets
- 3 · best druggability 0.76
Structure
x-ray diffraction · 2 distinct chains · 38% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 6-phosphogluconolactonase (EC 3.1.1.17) | protein | 260 | 38% helix, 20% strand | Q9GRG6 |
| B | 6-phosphogluconolactonase (EC 3.1.1.17) | protein | 263 | 38% helix, 20% strand | Q9GRG6 |
Ligands and binding sites
- 6PG · 6-phosphogluconic acid · ligand · 2 copies · chains A, B
- ZN · Zinc ion · metal · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 665 | 0.76 | 0.82 | 63 | empty |
| 2 | 184 | 0.54 | 0.80 | 35 | 6PG |
| 3 | 186 | 0.53 | 0.79 | 29 | 6PG |
Interfaces
1 interface between chains.
- A–B · 740 Ų buried · 15 hydrogen bonds · protein-protein
Compared structures
- 3E7F · Crystal structure of 6-phosphogluconolactonase from Trypanosoma brucei complexed 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 Q9GRG6
- Elsewhere: RCSB PDB 3E7F · PDBe 3E7F · UniProt Q9GRG6
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