MolNFT v1 · #100888 · protein
Crystal structure of glutathione transferase PPUT_1760 from pseudomonas putida, target efi-507288, with one glutathione disulfide bound per one protein subunit
4NAX · Glutathione S-transferase, N-terminal domain protein: “Crystal structure of glutathione transferase PPUT_1760 from pseudomonas putida, target efi-507288, with one…”. X-ray diffraction, 1 ligand (GDS), 4 pockets (best druggability…
- PDB
- 4NAX
- Type
- protein
- Length
- 467 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glutathione S-transferase, N-terminal domain protein
- UniProt
- A5W1A6
- Ligands
- GDS
- Pockets
- 4 · best druggability 0.76
Structure
x-ray diffraction · 2 distinct chains · 58% helix, 8% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Glutathione S-transferase, N-terminal domain protein | protein | 237 | 58% helix, 8% strand | A5W1A6 |
| B | Glutathione S-transferase, N-terminal domain protein | protein | 230 | 58% helix, 8% strand | A5W1A6 |
Ligands and binding sites
- GDS · Oxidized glutathione disulfide · ligand · 2 copies · chains A, B
- GOL · Glycerol · additive · 3 copies · chains A, B
- FMT · Formic acid · additive · chains A
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 | 601 | 0.76 | 0.82 | 47 | GDS, GOL |
| 2 | 499 | 0.74 | 0.82 | 43 | GDS, GOL |
| 3 | 144 | 0.41 | 0.74 | 24 | empty |
| 4 | 79 | 0.35 | 0.76 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 1936 Ų buried · 28 hydrogen bonds · protein-protein
Compared structures
- 4NAX · Crystal structure of glutathione transferase PPUT_1760 from Pseudomonas putida, target… · 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 A5W1A6
- Elsewhere: RCSB PDB 4NAX · PDBe 4NAX · UniProt A5W1A6
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