MolNFT v2 · #72824 · protein
The crystal structure of Glutathione S-transferase from Legionella pneumophila
3NIV: “The crystal structure of Glutathione S-transferase from Legionella pneumophila”. X-ray diffraction at 2.3, 8 pockets (best druggability 0.70). MolNFT v2 #72824 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3NIV
- Type
- protein
- Length
- 762 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 2.3
- Source
- Legionella pneumophila subsp. pneumophila str. Philadelphia 1
- Molecule
- Glutathione S-transferase
- EC
- 5.2.1.2
- UniProt
- Q5ZT82
- Pockets
- 8 · best druggability 0.70
Structure
x-ray diffraction · resolution 2.3 · 4 distinct chains · 58% helix, 10% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Glutathione S-transferase (EC 5.2.1.2) | protein | 191 | 58% helix, 8% strand | Q5ZT82 |
| B | Glutathione S-transferase (EC 5.2.1.2) | protein | 188 | 56% helix, 10% strand | Q5ZT82 |
| C | Glutathione S-transferase (EC 5.2.1.2) | protein | 191 | 57% helix, 12% strand | Q5ZT82 |
| D | Glutathione S-transferase (EC 5.2.1.2) | protein | 192 | 61% helix, 9% strand | Q5ZT82 |
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 | 424 | 0.70 | 0.81 | 38 | empty |
| 2 | 674 | 0.68 | 0.76 | 62 | empty |
| 3 | 327 | 0.63 | 0.79 | 39 | empty |
| 4 | 240 | 0.59 | 0.80 | 29 | empty |
| 5 | 223 | 0.59 | 0.80 | 26 | empty |
Interfaces
4 interfaces between chains.
- A–B · 1923 Ų buried · 12 hydrogen bonds · protein-protein
- C–D · 1880 Ų buried · 12 hydrogen bonds · protein-protein
- B–C · 427 Ų buried · 5 hydrogen bonds · protein-protein
- B–D · 23 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 24 modified, 1 disulfide (engineered, disulfide).
Compared structures
- 3NIV · The crystal structure of glutathione S-transferase from legionella pneumophila · 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 Q5ZT82
- Elsewhere: RCSB PDB 3NIV · PDBe 3NIV · UniProt Q5ZT82
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