MolNFT v1 · #18385 · protein
Crystal structure of an insect delta-class glutathione S- transferase from a ddt-resistant strain of the malaria vector anopheles gambiae
1PN9 · Glutathione S-transferase 1-6: “Crystal structure of an insect delta-class glutathione S- transferase from a ddt-resistant strain of the…”. X-ray diffraction, 1 ligand (GTX), 4 pockets (best druggability 0.74). MolNFT v1 #18385 on…
- PDB
- 1PN9
- Type
- protein
- Length
- 418 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glutathione S-transferase 1-6
- EC
- 2.5.1.18
- UniProt
- Q93113
- Ligands
- GTX
- Pockets
- 4 · best druggability 0.74
Structure
x-ray diffraction · 1 distinct chain · 62% helix, 9% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Glutathione S-transferase 1-6 (EC 2.5.1.18) | protein | 209 | 62% helix, 9% strand | Q93113 |
Ligands and binding sites
- GTX · S-hexylglutathione · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 732 | 0.74 | 0.79 | 48 | GTX |
| 2 | 619 | 0.70 | 0.78 | 41 | GTX |
| 3 | 89 | 0.40 | 0.77 | 26 | empty |
| 4 | 82 | 0.33 | 0.74 | 20 | empty |
Interfaces
1 interface between chains.
- A–B · 1453 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 1PN9 · Crystal structure of an insect delta-class glutathione S-transferase from a DDT-resistant… · the same entry in another collection · chain A against A, TM-score 1.00
- Q93113 · AlphaFold monomer V2.0 prediction for glutathione S-transferase 1, isoform D (Q93113) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 Q93113
- Elsewhere: RCSB PDB 1PN9 · PDBe 1PN9 · UniProt Q93113
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