MolNFT v1 · #90206 · protein
Crystal structure of glutathione S-transferase PRK13972 (target efi- 501853) from pseudomonas aeruginosa PACS2 complexed with glutathione
4ECJ: “Crystal structure of glutathione S-transferase PRK13972 (target efi- 501853) from pseudomonas aeruginosa…”. X-ray diffraction, 1 ligand (GSH), 4 pockets (best druggability 0.70). MolNFT v1 #90206 on GenesisL1: 3D structure, binding…
- PDB
- 4ECJ
- Type
- protein
- Length
- 408 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glutathione S-transferase
- UniProt
- Q02KA8
- Ligands
- GSH
- Pockets
- 4 · best druggability 0.70
Structure
x-ray diffraction · 2 distinct chains · 60% helix, 10% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Glutathione S-transferase | protein | 204 | 61% helix, 10% strand | Q02KA8 |
| B | Glutathione S-transferase | protein | 204 | 58% helix, 10% strand | Q02KA8 |
Ligands and binding sites
- GSH · Glutathione · ligand · 2 copies · chains A, B
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 | 416 | 0.70 | 0.82 | 36 | GSH |
| 2 | 378 | 0.70 | 0.82 | 36 | GSH |
| 3 | 92 | 0.39 | 0.77 | 14 | empty |
| 4 | 76 | 0.34 | 0.76 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 1835 Ų buried · 22 hydrogen bonds · protein-protein
Compared structures
- 4ECJ · Crystal structure of glutathione s-transferase prk13972 (target efi-501853) from… · 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 Q02KA8
- Elsewhere: RCSB PDB 4ECJ · PDBe 4ECJ · UniProt Q02KA8
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