MolNFT v1 · #92229 · protein
Crystal structure of the glutathione transferase GTE1 from phanerochaete chrysosporium in complex with glutathione
4G19: “Crystal structure of the glutathione transferase GTE1 from phanerochaete chrysosporium in complex with…”. X-ray diffraction, 1 ligand (GSH), 6 pockets (best druggability 0.74). MolNFT v1 #92229 on GenesisL1: 3D structure, binding…
- PDB
- 4G19
- Type
- protein
- Length
- 1,002 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glutathione transferase GTE1
- Ligands
- GSH
- Pockets
- 6 · best druggability 0.74
Structure
x-ray diffraction · 2 distinct chains · 56% helix, 9% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, D | Glutathione transferase GTE1 | protein | 251 | 56% helix, 9% strand | — |
| B, C | Glutathione transferase GTE1 | protein | 250 | 56% helix, 9% strand | — |
Ligands and binding sites
- GSH · Glutathione · ligand · 4 copies · chains A, B, C, D
- GOL · Glycerol · additive · 7 copies · chains A, B, C, D
- ACT · Acetate ion · additive · 6 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 750 | 0.74 | 0.79 | 66 | GOL |
| 2 | 489 | 0.68 | 0.78 | 51 | ACT, GSH |
| 3 | 480 | 0.65 | 0.77 | 51 | ACT, GSH |
| 4 | 424 | 0.64 | 0.77 | 46 | ACT, GSH |
| 5 | 415 | 0.63 | 0.77 | 44 | ACT, GSH |
Interfaces
3 interfaces between chains.
- A–B · 933 Ų buried · 6 hydrogen bonds · protein-protein
- C–D · 853 Ų buried · 5 hydrogen bonds · protein-protein
- B–D · 216 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 4G19 · Crystal structure of the glutathione transferase GTE1 from Phanerochaete chrysosporium in… · 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
- Elsewhere: RCSB PDB 4G19 · PDBe 4G19
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