MolNFT v1 · #191143 · protein
Crystal structure of poplar glutathione transferase U20 in complex with galangin
8A0O: “Crystal structure of poplar glutathione transferase U20 in complex with galangin”. X-ray diffraction, 2 ligands (KMC, CL), 4 pockets (best druggability 0.57). MolNFT v1 #191143 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 8A0O
- Type
- protein
- Length
- 215 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glutathione transferase
- EC
- 2.5.1.18
- UniProt
- D2X9R3
- Ligands
- KMC, CL
- Pockets
- 4 · best druggability 0.57
Structure
x-ray diffraction · 1 distinct chain · 57% helix, 9% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Glutathione transferase (EC 2.5.1.18) | protein | 215 | 57% helix, 9% strand | D2X9R3 |
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, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 254 | 0.57 | 0.78 | 28 | KMC |
| 2 | 56 | 0.34 | 0.77 | 19 | CL |
| 3 | 64 | 0.33 | 0.76 | 14 | empty |
| 4 | 65 | 0.31 | 0.75 | 18 | empty |
Compared structures
- 8A0O · Crystal structure of poplar glutathione transferase U20 in complex with galangin · 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 D2X9R3
- Elsewhere: RCSB PDB 8A0O · PDBe 8A0O · UniProt D2X9R3
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