MolNFT v1 · #70290 · protein
Crystal structure of putative glutathione transferase from coccidioides immitis
3LG6: “Crystal structure of putative glutathione transferase from coccidioides immitis”. X-ray diffraction, 1 ligand (SO4), 10 pockets (best druggability 0.82). MolNFT v1 #70290 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3LG6
- Type
- protein
- Length
- 893 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative glutathione transferase
- Ligands
- SO4
- Pockets
- 10 · best druggability 0.82
Structure
x-ray diffraction · 4 distinct chains · 54% helix, 10% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Putative glutathione transferase | protein | 229 | 54% helix, 10% strand | — |
| B | Putative glutathione transferase | protein | 217 | 52% helix, 10% strand | — |
| C | Putative glutathione transferase | protein | 228 | 56% helix, 10% strand | — |
| D | Putative glutathione transferase | protein | 219 | 53% helix, 9% strand | — |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 4 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 993 | 0.82 | 0.83 | 100 | empty |
| 2 | 744 | 0.78 | 0.82 | 71 | SO4 |
| 3 | 638 | 0.77 | 0.82 | 75 | SO4 |
| 4 | 605 | 0.75 | 0.81 | 67 | SO4 |
| 5 | 640 | 0.74 | 0.81 | 65 | SO4 |
Interfaces
6 interfaces between chains.
- C–D · 2035 Ų buried · 23 hydrogen bonds · protein-protein
- A–B · 2010 Ų buried · 21 hydrogen bonds · protein-protein
- A–C · 415 Ų buried · 2 hydrogen bonds · protein-protein
- B–D · 170 Ų buried · 0 hydrogen bonds · protein-protein
- A–D · 125 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 3LG6 · Crystal structure of putative glutathione transferase from Coccidioides immitis · 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 3LG6 · PDBe 3LG6
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