MolNFT v1 · #165412 · protein
Crystal structure of glutathione S-transferase PA1623 from pseudomonas aeruginosa PACS2 complexed with tartrate
6TUM: “Crystal structure of glutathione S-transferase PA1623 from pseudomonas aeruginosa PACS2 complexed with…”. X-ray diffraction, 4 pockets (best druggability 0.71). MolNFT v1 #165412 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 6TUM
- Type
- protein
- Length
- 408 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glutathione S-transferase
- UniProt
- A0A485ICL5
- Pockets
- 4 · best druggability 0.71
Structure
x-ray diffraction · 2 distinct chains · 58% helix, 10% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Glutathione S-transferase | protein | 203 | 57% helix, 10% strand | A0A485ICL5 |
| B | Glutathione S-transferase | protein | 205 | 59% helix, 10% strand | A0A485ICL5 |
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, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 418 | 0.71 | 0.82 | 34 | TAR |
| 2 | 379 | 0.69 | 0.82 | 35 | TLA |
| 3 | 104 | 0.39 | 0.76 | 19 | empty |
| 4 | 93 | 0.38 | 0.76 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 1835 Ų buried · 33 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 12 modified (engineered).
Compared structures
- 6TUM · Crystal structure of glutathione s-transferase PA1623 from Pseudomonas aeruginosa PACS2… · 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 A0A485ICL5
- Elsewhere: RCSB PDB 6TUM · PDBe 6TUM · UniProt A0A485ICL5
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