MolNFT v1 · #121942 · protein
The structure of microsomal glutathione transferase 1 in complex with meisenheimer complex
5IA9 · Microsomal glutathione S-transferase 1: “The structure of microsomal glutathione transferase 1 in complex with meisenheimer complex”. Electron crystallography, 3 ligands (PC1, PLM, GTD), 2 pockets (best druggability 0.51). MolNFT v1…
- PDB
- 5IA9
- Type
- protein
- Length
- 123 residues
- Chains
- 1
- Method
- electron crystallography
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Microsomal glutathione S-transferase 1
- EC
- 2.5.1.18
- UniProt
- P08011
- Ligands
- PC1, PLM, GTD
- Pockets
- 2 · best druggability 0.51
Structure
electron crystallography · 1 distinct chain · 80% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Microsomal glutathione S-transferase 1 (EC 2.5.1.18) | protein | 123 | 80% helix, 0% strand | P08011 |
Ligands and binding sites
- PC1 · 1,2-diacyl-sn-glycero-3-phosphocholine · ligand · 2 copies · chains A
- PLM · Palmitic acid · ligand · 2 copies · chains A
- GTD · 1-(S-glutathionyl)-2,4,6-trinitrocyclohexa-2,5-diene · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 168 | 0.51 | 0.78 | 22 | PLM |
| 2 | 82 | 0.47 | 0.81 | 18 | empty |
Compared structures
- 5IA9 · The structure of microsomal glutathione transferase 1 in complex with Meisenheimer complex · the same entry in another collection · chain A against A, TM-score 1.00
- P08011 · AlphaFold monomer V2.0 prediction for microsomal glutathione S-transferase 1 (P08011) · a predicted model of the same protein · chain A against A, TM-score 0.79
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 P08011
- Elsewhere: RCSB PDB 5IA9 · PDBe 5IA9 · UniProt P08011
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