MolNFT v1 · #72342 · protein
Crystal structure of putative glutathione transferase from coccidioides immitis bound to glutathione
3N5O: “Crystal structure of putative glutathione transferase from coccidioides immitis bound to glutathione”. X-ray diffraction, 2 ligands (GSH, SO4), 4 pockets (best druggability 0.78). MolNFT v1 #72342 on GenesisL1: 3D structure, binding…
- PDB
- 3N5O
- Type
- protein
- Length
- 442 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glutathione transferase
- UniProt
- D2YW48
- Ligands
- GSH, SO4
- Pockets
- 4 · best druggability 0.78
Structure
x-ray diffraction · 2 distinct chains · 55% helix, 9% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Glutathione transferase | protein | 228 | 56% helix, 9% strand | D2YW48 |
| B | Glutathione transferase | protein | 214 | 54% helix, 9% strand | D2YW48 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 366 | 0.78 | 0.87 | 58 | GSH, SO4 |
| 2 | 577 | 0.73 | 0.81 | 62 | SO4 |
| 3 | 160 | 0.45 | 0.75 | 32 | empty |
| 4 | 61 | 0.37 | 0.79 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 2124 Ų buried · 19 hydrogen bonds · protein-protein
Compared structures
- 3N5O · Crystal structure of putative glutathione transferase from Coccidioides immitis bound to… · the same entry in another collection · chain A against A, TM-score 1.00
- D2YW48 · AlphaFold monomer V2.0 prediction for probable glutathione S-transferase (D2YW48) · a predicted model of the same protein · chain A against A, TM-score 0.98
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 D2YW48
- Elsewhere: RCSB PDB 3N5O · PDBe 3N5O · UniProt D2YW48
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