Research workbench
Crystal structure of HGSTA1-1 complexed with two gsh analogues in each subunit
Analyse Crystal structure of HGSTA1-1 complexed with two gsh analogues in each subunit in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6ATR
- Type
- protein
- Length
- 445 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glutathione S-transferase A1
- EC
- 2.5.1.18
- UniProt
- P08263
- Pockets
- 5 · best druggability 0.86
Structure
x-ray diffraction · 2 distinct chains · 58% helix, 8% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Glutathione S-transferase A1 (EC 2.5.1.18) | protein | 223 | 59% helix, 8% strand | P08263 |
| B | Glutathione S-transferase A1 (EC 2.5.1.18) | protein | 222 | 58% helix, 8% strand | P08263 |
Ligands and binding sites
- EDO · 1,2-ethanediol · additive · 14 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1013 | 0.86 | 0.87 | 97 | EDO |
| 2 | 123 | 0.41 | 0.75 | 19 | EDO |
| 3 | 113 | 0.38 | 0.74 | 22 | empty |
| 4 | 56 | 0.29 | 0.75 | 12 | empty |
| 5 | 56 | 0.27 | 0.74 | 14 | empty |
Interfaces
1 interface between chains.
- A–B · 1616 Ų buried · 30 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 modified (nonstandard).
Compared structures
- 6ATR · Crystal structure of hGSTA1-1 complexed with two GSH analogues in each subunit · 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 P08263
- Elsewhere: RCSB PDB 6ATR · PDBe 6ATR · UniProt P08263
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