MolNFT v1 · #40695 · protein
Three dimensional structure and catalytic mechanism of 6- phosphogluconolactonase from trypanosoma brucei
2J0E · 6-phosphogluconolactonase: “Three dimensional structure and catalytic mechanism of 6- phosphogluconolactonase from trypanosoma brucei”. X-ray diffraction, 3 ligands (HG, ZN, K), 3 pockets (best druggability 0.58). MolNFT v1 #40695…
- PDB
- 2J0E
- Type
- protein
- Length
- 526 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 6-phosphogluconolactonase
- EC
- 3.1.1.31
- UniProt
- Q9GRG6
- Ligands
- HG, ZN, K
- Pockets
- 3 · best druggability 0.58
Structure
x-ray diffraction · 1 distinct chain · 38% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | 6-phosphogluconolactonase (EC 3.1.1.31) | protein | 263 | 38% helix, 20% strand | Q9GRG6 |
Ligands and binding sites
- HG · Mercury (II) ion · metal · 4 copies · chains A, B
- ZN · Zinc ion · metal · 2 copies · chains A, B
- K · Potassium ion · metal · chains 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 | 220 | 0.58 | 0.80 | 40 | empty |
| 2 | 208 | 0.55 | 0.79 | 31 | empty |
| 3 | 385 | 0.54 | 0.73 | 37 | empty |
Interfaces
1 interface between chains.
- A–B · 81 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 2J0E · Three dimensional structure and catalytic mechanism of 6- phosphogluconolactonase from… · 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 2J0E · PDBe 2J0E · UniProt Q9GRG6
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