Research workbench
Crystal structure of a glutathione S-transferase family protein from burkholderia ambifaria, target efi-507141, with bound glutathione
Analyse Crystal structure of a glutathione S-transferase family protein from… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4IEL
- Type
- protein
- Length
- 407 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glutathione S-transferase, N-terminal domain protein; Tripeptide likely a portion of the…
- UniProt
- Q0B681
- Ligands
- GSH, MG
- Pockets
- 5 · best druggability 0.57
Structure
x-ray diffraction · 3 distinct chains · 55% helix, 8% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Glutathione S-transferase, N-terminal domain protein | protein | 198 | 56% helix, 8% strand | Q0B681 |
| B | Glutathione S-transferase, N-terminal domain protein | protein | 206 | 54% helix, 7% strand | Q0B681 |
| C | Tripeptide likely a portion of the N-terminal tag | protein | 3 | 0% helix, 33% strand | — |
Ligands and binding sites
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 | 315 | 0.57 | 0.76 | 28 | empty |
| 2 | 179 | 0.45 | 0.74 | 24 | GSH |
| 3 | 101 | 0.38 | 0.75 | 16 | empty |
| 4 | 93 | 0.31 | 0.73 | 17 | GSH |
| 5 | 54 | 0.31 | 0.77 | 15 | empty |
Interfaces
2 interfaces between chains.
- A–B · 342 Ų buried · 10 hydrogen bonds · protein-protein
- B–C · 155 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 4IEL · Crystal structure of a glutathione s-transferase family protein from burkholderia… · 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 Q0B681
- Elsewhere: RCSB PDB 4IEL · PDBe 4IEL · UniProt Q0B681
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