MolNFT v1 · #70884 · protein
Crystal structure of glutathione S transferase from pseudomonas fluorescens
3LXT: “Crystal structure of glutathione S transferase from pseudomonas fluorescens”. X-ray diffraction, 1 ligand (CL), 9 pockets (best druggability 0.86). MolNFT v1 #70884 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3LXT
- Type
- protein
- Length
- 823 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glutathione S transferase
- UniProt
- Q4KDJ6
- Ligands
- CL
- Pockets
- 9 · best druggability 0.86
Structure
x-ray diffraction · 4 distinct chains · 60% helix, 6% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Glutathione S transferase | protein | 204 | 60% helix, 7% strand | Q4KDJ6 |
| B | Glutathione S transferase | protein | 203 | 60% helix, 6% strand | Q4KDJ6 |
| C | Glutathione S transferase | protein | 211 | 59% helix, 7% strand | Q4KDJ6 |
| D | Glutathione S transferase | protein | 205 | 60% helix, 6% strand | Q4KDJ6 |
Ligands and binding sites
- CL · Chloride ion · ion · 7 copies · chains A, B, C, D
- GOL · Glycerol · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 943 | 0.86 | 0.87 | 81 | CL |
| 2 | 930 | 0.86 | 0.87 | 80 | CL |
| 3 | 305 | 0.70 | 0.84 | 34 | empty |
| 4 | 308 | 0.70 | 0.84 | 36 | empty |
| 5 | 533 | 0.69 | 0.79 | 50 | empty |
Interfaces
4 interfaces between chains.
- B–C · 2129 Ų buried · 36 hydrogen bonds · protein-protein
- A–D · 2110 Ų buried · 33 hydrogen bonds · protein-protein
- B–D · 464 Ų buried · 8 hydrogen bonds · protein-protein
- C–D · 38 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 3LXT · Crystal structure of Glutathione S Transferase from Pseudomonas fluorescens · 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 Q4KDJ6
- Elsewhere: RCSB PDB 3LXT · PDBe 3LXT · UniProt Q4KDJ6
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