MolNFT v1 · #53345 · protein
The 2.4 ångström structure of the fasciola hepatica mu class GST, GST26
2WRT · Glutathione S-transferase class-mu 26 kda isozyme 51: “The 2.4 ångström structure of the fasciola hepatica mu class GST, GST26”. X-ray diffraction, 1 ligand (CL), 20 pockets (best druggability 0.81). MolNFT v1 #53345 on GenesisL1…
- PDB
- 2WRT
- Type
- protein
- Length
- 2,604 residues
- Chains
- 12
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glutathione S-transferase class-mu 26 kda isozyme 51
- EC
- 2.5.1.18
- UniProt
- P30112
- Ligands
- CL
- Pockets
- 20 · best druggability 0.81
Structure
x-ray diffraction · 1 distinct chain · 50% helix, 10% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F, G, H, I, J, K, L | Glutathione S-transferase class-mu 26 kda isozyme 51 (EC 2.5.1.18) | protein | 217 | 50% helix, 10% strand | P30112 |
Ligands and binding sites
- CL · Chloride ion · ion · 12 copies · chains A, B, D, E, F, G, H, I, J
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 15 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1057 | 0.81 | 0.82 | 114 | empty |
| 2 | 956 | 0.80 | 0.82 | 94 | CL |
| 3 | 1110 | 0.78 | 0.80 | 93 | CL |
| 4 | 1155 | 0.78 | 0.80 | 102 | empty |
| 5 | 873 | 0.77 | 0.80 | 75 | CL |
Interfaces
19 interfaces between chains.
- A–B · 1444 Ų buried · 14 hydrogen bonds · protein-protein
- K–L · 1418 Ų buried · 13 hydrogen bonds · protein-protein
- G–H · 1416 Ų buried · 11 hydrogen bonds · protein-protein
- E–F · 1389 Ų buried · 11 hydrogen bonds · protein-protein
- I–J · 1349 Ų buried · 11 hydrogen bonds · protein-protein
Compared structures
- 2WRT · The 2.4 Angstrom structure of the Fasciola hepatica mu class GST, GST26 · the same entry in another collection · chain L against L, 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 P30112
- Elsewhere: RCSB PDB 2WRT · PDBe 2WRT · UniProt P30112
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