MolNFT v1 · #40288 · protein
Structures of an insect epsilon-class glutathione S-transferase from the malaria vector anopheles gambiae: evidence for high ddt- detoxifying activity
2IMK: “Structures of an insect epsilon-class glutathione S-transferase from the malaria vector anopheles gambiae…”. X-ray diffraction, 1 ligand (GTX), 5 pockets (best druggability 0.82). MolNFT v1 #40288 on GenesisL1: 3D structure, binding…
- PDB
- 2IMK
- Type
- protein
- Length
- 439 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Epsilon-class glutathione S-transferase
- EC
- 2.5.1.18
- UniProt
- Q7PVS6
- Ligands
- GTX
- Pockets
- 5 · best druggability 0.82
Structure
x-ray diffraction · 2 distinct chains · 60% helix, 9% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Epsilon-class glutathione S-transferase (EC 2.5.1.18) | protein | 220 | 60% helix, 9% strand | Q7PVS6 |
| B | Epsilon-class glutathione S-transferase (EC 2.5.1.18) | protein | 219 | 59% helix, 9% strand | Q7PVS6 |
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
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 | 494 | 0.82 | 0.89 | 54 | GTX |
| 2 | 435 | 0.81 | 0.89 | 53 | GTX |
| 3 | 168 | 0.54 | 0.80 | 28 | empty |
| 4 | 118 | 0.51 | 0.81 | 18 | empty |
| 5 | 124 | 0.45 | 0.77 | 24 | empty |
Interfaces
1 interface between chains.
- A–B · 1620 Ų buried · 14 hydrogen bonds · protein-protein
Compared structures
- 2IMK · Structures of an Insect Epsilon-class Glutathione S-transferase from the Malaria Vector… · 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 Q7PVS6
- Elsewhere: RCSB PDB 2IMK · PDBe 2IMK · UniProt Q7PVS6
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