MolNFT v1 · #111115 · protein
Glutathione transferase E6 from drosophila melanogaster
4YH2 · Glutathione S transferase E6: “Glutathione transferase E6 from drosophila melanogaster”. X-ray diffraction, 1 ligand (GSH), 11 pockets (best druggability 0.87). MolNFT v1 #111115 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 4YH2
- Type
- protein
- Length
- 881 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glutathione S transferase E6
- EC
- 2.5.1.18
- UniProt
- A1ZB71
- Ligands
- GSH
- Pockets
- 11 · best druggability 0.87
Structure
x-ray diffraction · 4 distinct chains · 58% helix, 10% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Glutathione S transferase E6 (EC 2.5.1.18) | protein | 221 | 59% helix, 10% strand | A1ZB71 |
| B | Glutathione S transferase E6 (EC 2.5.1.18) | protein | 219 | 58% helix, 10% strand | A1ZB71 |
| C | Glutathione S transferase E6 (EC 2.5.1.18) | protein | 220 | 58% helix, 10% strand | A1ZB71 |
| D | Glutathione S transferase E6 (EC 2.5.1.18) | protein | 221 | 57% helix, 10% strand | A1ZB71 |
Ligands and binding sites
- GSH · Glutathione · ligand · 4 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
11 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1071 | 0.87 | 0.88 | 105 | GSH |
| 2 | 1081 | 0.87 | 0.88 | 105 | GSH |
| 3 | 103 | 0.49 | 0.81 | 26 | empty |
| 4 | 91 | 0.47 | 0.81 | 21 | empty |
| 5 | 140 | 0.43 | 0.75 | 20 | empty |
Interfaces
5 interfaces between chains.
- B–D · 1446 Ų buried · 9 hydrogen bonds · protein-protein
- A–C · 1437 Ų buried · 9 hydrogen bonds · protein-protein
- B–C · 397 Ų buried · 2 hydrogen bonds · protein-protein
- A–B · 79 Ų buried · 1 hydrogen bond · protein-protein
- C–D · 23 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 4YH2 · Glutathione Transferase E6 from Drosophila melanogaster · 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 A1ZB71
- Elsewhere: RCSB PDB 4YH2 · PDBe 4YH2 · UniProt A1ZB71
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