MolNFT v1 · #98312 · protein
Crystal structure of 26 kda GST D26H mutant of clonorchis sinensis
4L5O · Putative glutathione transferase: “Crystal structure of 26 kda GST D26H mutant of clonorchis sinensis”. X-ray diffraction, 3 ligands (GSH, ZN, SO4), 5 pockets (best druggability 0.78). MolNFT v1 #98312 on GenesisL1: 3D structure…
- PDB
- 4L5O
- Type
- protein
- Length
- 651 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative glutathione transferase
- UniProt
- Q25595
- Ligands
- GSH, ZN, SO4
- Pockets
- 5 · best druggability 0.78
Structure
x-ray diffraction · 1 distinct chain · 55% helix, 8% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C | Putative glutathione transferase | protein | 217 | 55% helix, 8% strand | Q25595 |
Ligands and binding sites
- GSH · Glutathione · ligand · 3 copies · chains A, B, C
- ZN · Zinc ion · metal · 2 copies · chains A, C, B
- SO4 · Sulfate ion · ion · 6 copies · chains A, B, C
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 | 772 | 0.78 | 0.82 | 85 | GSH |
| 2 | 847 | 0.75 | 0.79 | 82 | SO4 |
| 3 | 67 | 0.56 | 0.88 | 15 | empty |
| 4 | 159 | 0.50 | 0.78 | 22 | empty |
| 5 | 59 | 0.29 | 0.74 | 16 | empty |
Interfaces
2 interfaces between chains.
- A–B · 1306 Ų buried · 15 hydrogen bonds · protein-protein
- A–C · 388 Ų buried · 8 hydrogen bonds · protein-protein
Compared structures
- 4L5O · Crystal structure of 26 kDa GST D26H mutant of Clonorchis sinensis · the same entry in another collection · chain C against C, 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 Q25595
- Elsewhere: RCSB PDB 4L5O · PDBe 4L5O · UniProt Q25595
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