MolNFT v1 · #153982 · protein
Crystal structure of maleylpyruvate isomerase from pseudomonas aeruginosa PAO1
6JWK · Probable glutathione S-transferase: “Crystal structure of maleylpyruvate isomerase from pseudomonas aeruginosa PAO1”. X-ray diffraction, 1 ligand (SO4), 4 pockets (best druggability 0.71). MolNFT v1 #153982 on GenesisL1: 3D…
- PDB
- 6JWK
- Type
- protein
- Length
- 384 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Probable glutathione S-transferase
- UniProt
- Q9I109
- Ligands
- SO4
- Pockets
- 4 · best druggability 0.71
Structure
x-ray diffraction · 2 distinct chains · 61% helix, 7% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Probable glutathione S-transferase | protein | 191 | 60% helix, 7% strand | Q9I109 |
| B | Probable glutathione S-transferase | protein | 193 | 62% helix, 7% strand | Q9I109 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 60 | 0.71 | 0.97 | 16 | GOL |
| 2 | 354 | 0.62 | 0.78 | 47 | GOL, SO4 |
| 3 | 372 | 0.59 | 0.76 | 52 | GOL, SO4 |
| 4 | 134 | 0.46 | 0.77 | 20 | empty |
Interfaces
1 interface between chains.
- A–B · 1799 Ų buried · 13 hydrogen bonds · protein-protein
Compared structures
- 6JWK · Crystal structure of maleylpyruvate isomerase from Pseudomonas aeruginosa PAO1 · 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 Q9I109
- Elsewhere: RCSB PDB 6JWK · PDBe 6JWK · UniProt Q9I109
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.