MolNFT v1 · #28823 · protein
Structural genomics of caenorhabditis elegans: glutathione S-transferase
1YQ1: “Structural genomics of caenorhabditis elegans: glutathione S-transferase”. X-ray diffraction, 5 pockets (best druggability 0.69). MolNFT v1 #28823 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1YQ1
- Type
- protein
- Length
- 402 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glutathione S-transferase
- EC
- 2.5.1.18
- UniProt
- Q93698
- Pockets
- 5 · best druggability 0.69
Structure
x-ray diffraction · 1 distinct chain · 55% helix, 8% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Glutathione S-transferase (EC 2.5.1.18) | protein | 201 | 55% helix, 8% strand | Q93698 |
Pockets
5 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 685 | 0.69 | 0.77 | 72 | empty |
| 2 | 92 | 0.49 | 0.82 | 20 | empty |
| 3 | 72 | 0.37 | 0.77 | 19 | empty |
| 4 | 75 | 0.31 | 0.74 | 15 | empty |
| 5 | 50 | 0.24 | 0.72 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 1277 Ų buried · 20 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 modified (engineered).
Compared structures
- 1YQ1 · Structural Genomics Of Caenorhabditis Elegans: glutathione S-Transferase · 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 Q93698
- Elsewhere: RCSB PDB 1YQ1 · PDBe 1YQ1 · UniProt Q93698
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