MolNFT v1 · #149850 · protein
Crystal structure of glutathione transferase XI 3 mutant C56S from trametes versicolor in complex with dextran-sulfate
6GCC: “Crystal structure of glutathione transferase XI 3 mutant C56S from trametes versicolor in complex with…”. X-ray diffraction, 3 ligands (TUJ, TUG, 5LT), 3 pockets (best druggability 0.76). MolNFT v1 #149850 on GenesisL1: 3D…
- PDB
- 6GCC
- Type
- protein
- Length
- 581 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glutathione transferase XI 3 mutant C56S
- Ligands
- TUJ, TUG, 5LT
- Pockets
- 3 · best druggability 0.76
Structure
x-ray diffraction · 2 distinct chains · 46% helix, 8% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Glutathione transferase XI 3 mutant C56S | protein | 291 | 45% helix, 8% strand | — |
| B | Glutathione transferase XI 3 mutant C56S | protein | 290 | 47% helix, 8% strand | — |
Ligands and binding sites
- TUJ · 1,2,3,4-tetra-O-sulfo-alpha-D-allopyranose · ligand · 2 copies · chains A, B
- TUG · 3,4-di-O-sulfo-alpha-D-altropyranose · ligand · 2 copies · chains A, B
- 5LT · 3,4-di-O-sulfo-alpha-D-glucopyranose · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 247 | 0.76 | 0.89 | 42 | empty |
| 2 | 281 | 0.56 | 0.77 | 30 | TUG, 5LT |
| 3 | 303 | 0.56 | 0.76 | 34 | TUG, 5LT |
Interfaces
1 interface between chains.
- A–B · 1145 Ų buried · 15 hydrogen bonds · protein-protein
Compared structures
- 6GCC · Crystal structure of glutathione transferase Xi 3 mutant C56S from Trametes versicolor 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 6GCC · PDBe 6GCC
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