MolNFT v1 · #90080 · protein
Structural of bombyx mori glutathione transferase BMGSTD1 complex with gtt
4E8H · Glutathione S-transferase: “Structural of bombyx mori glutathione transferase BMGSTD1 complex with gtt”. X-ray diffraction, 1 ligand (GSH), 7 pockets (best druggability 0.80). MolNFT v1 #90080 on GenesisL1: 3D structure, binding…
- PDB
- 4E8H
- Type
- protein
- Length
- 862 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glutathione S-transferase
- EC
- 2.5.1.18
- UniProt
- O61996
- Ligands
- GSH
- Pockets
- 7 · best druggability 0.80
Structure
x-ray diffraction · 2 distinct chains · 58% helix, 9% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Glutathione S-transferase (EC 2.5.1.18) | protein | 214 | 58% helix, 8% strand | O61996 |
| B, C, D | Glutathione S-transferase (EC 2.5.1.18) | protein | 216 | 57% helix, 9% strand | O61996 |
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
7 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1108 | 0.80 | 0.81 | 97 | empty |
| 2 | 914 | 0.76 | 0.79 | 84 | GSH |
| 3 | 1199 | 0.75 | 0.77 | 82 | GSH |
| 4 | 382 | 0.63 | 0.78 | 30 | empty |
| 5 | 371 | 0.62 | 0.78 | 31 | empty |
Interfaces
5 interfaces between chains.
- A–B · 1473 Ų buried · 11 hydrogen bonds · protein-protein
- C–D · 1472 Ų buried · 9 hydrogen bonds · protein-protein
- A–C · 442 Ų buried · 7 hydrogen bonds · protein-protein
- A–D · 281 Ų buried · 3 hydrogen bonds · protein-protein
- B–C · 281 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 4E8H · Structural of Bombyx mori glutathione transferase BmGSTD1 complex with GTT · 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 O61996
- Elsewhere: RCSB PDB 4E8H · PDBe 4E8H · UniProt O61996
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