MolNFT v1 · #90077 · protein
Structural characterization of bombyx mori glutathione transferase BMGSTD1
4E8E · Glutathione S-transferase: “Structural characterization of bombyx mori glutathione transferase BMGSTD1”. X-ray diffraction, 8 pockets (best druggability 0.79). MolNFT v1 #90077 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 4E8E
- Type
- protein
- Length
- 864 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
- Pockets
- 8 · best druggability 0.79
Structure
x-ray diffraction · 1 distinct chain · 58% helix, 9% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Glutathione S-transferase (EC 2.5.1.18) | protein | 216 | 58% helix, 9% strand | O61996 |
Pockets
8 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1194 | 0.79 | 0.80 | 95 | empty |
| 2 | 1014 | 0.78 | 0.79 | 73 | empty |
| 3 | 678 | 0.71 | 0.78 | 42 | empty |
| 4 | 596 | 0.69 | 0.78 | 40 | empty |
| 5 | 340 | 0.62 | 0.79 | 30 | empty |
Interfaces
5 interfaces between chains.
- B–D · 1500 Ų buried · 10 hydrogen bonds · protein-protein
- A–C · 1499 Ų buried · 12 hydrogen bonds · protein-protein
- A–B · 470 Ų buried · 8 hydrogen bonds · protein-protein
- A–D · 267 Ų buried · 1 hydrogen bond · protein-protein
- B–C · 259 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 4E8E · Structural characterization of Bombyx mori glutathione transferase BmGSTD1 · 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 4E8E · PDBe 4E8E · UniProt O61996
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