MolNFT v1 · #177234 · protein
Crystal structure of aedes aegypti noppera-bo, glutathione S- transferase epsilon 8, in glutathione-bound form
7EBT · Glutathione transferase: “Crystal structure of aedes aegypti noppera-bo, glutathione S- transferase epsilon 8, in glutathione-bound form”. X-ray diffraction, 2 ligands (GSH, CA), 9 pockets (best druggability 0.78). MolNFT v1 #177234…
- PDB
- 7EBT
- Type
- protein
- Length
- 881 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glutathione transferase
- UniProt
- A0A1S4FIB3
- Ligands
- GSH, CA
- Pockets
- 9 · best druggability 0.78
Structure
x-ray diffraction · 3 distinct chains · 59% helix, 7% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Glutathione transferase | protein | 219 | 60% helix, 7% strand | A0A1S4FIB3 |
| B | Glutathione transferase | protein | 222 | 58% helix, 7% strand | A0A1S4FIB3 |
| C, D | Glutathione transferase | protein | 220 | 60% helix, 7% strand | A0A1S4FIB3 |
Ligands and binding sites
- GSH · Glutathione · ligand · 4 copies · chains A, B, C, D
- CA · Calcium ion · metal · 9 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 757 | 0.78 | 0.82 | 110 | empty |
| 2 | 281 | 0.64 | 0.81 | 28 | GSH |
| 3 | 266 | 0.60 | 0.79 | 27 | GSH |
| 4 | 312 | 0.59 | 0.77 | 29 | GSH |
| 5 | 214 | 0.58 | 0.80 | 23 | CA |
Interfaces
6 interfaces between chains.
- B–C · 478 Ų buried · 7 hydrogen bonds · protein-protein
- C–D · 448 Ų buried · 5 hydrogen bonds · protein-protein
- B–D · 423 Ų buried · 2 hydrogen bonds · protein-protein
- A–B · 402 Ų buried · 15 hydrogen bonds · protein-protein
- A–D · 262 Ų buried · 3 hydrogen bonds · protein-protein
Compared structures
- 7EBT · Crystal structure of Aedes aegypti Noppera-bo, glutathione S-transferase epsilon 8, in… · 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 A0A1S4FIB3
- Elsewhere: RCSB PDB 7EBT · PDBe 7EBT · UniProt A0A1S4FIB3
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