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Crystal structure of glutathione S-transferase PRK13972 (target efi- 501853) from pseudomonas aeruginosa PACS2 complexed with acetate
Analyse Crystal structure of glutathione S-transferase PRK13972 (target efi- 501853)… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4ECI
- 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
- Pockets
- 4 · best druggability 0.69
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
- ACT · Acetate ion · additive · 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 | 387 | 0.69 | 0.81 | 37 | ACT |
| 2 | 365 | 0.67 | 0.81 | 37 | ACT |
| 3 | 108 | 0.41 | 0.76 | 17 | empty |
| 4 | 80 | 0.35 | 0.75 | 14 | empty |
Interfaces
1 interface between chains.
- A–B · 1810 Ų buried · 23 hydrogen bonds · protein-protein
Compared structures
- 4ECI · 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 4ECI · PDBe 4ECI · UniProt Q02KA8
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