MolNFT v1 · #102237 · protein
C- orthorombic NAGST1
4OFT · Glutathione S-transferase-1: “C- orthorombic NAGST1”. X-ray diffraction, 4 pockets (best druggability 0.79). MolNFT v1 #102237 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4OFT
- Type
- protein
- Length
- 412 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glutathione S-transferase-1
- UniProt
- D3U1A5
- Pockets
- 4 · best druggability 0.79
Structure
x-ray diffraction · 1 distinct chain · 58% helix, 9% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Glutathione S-transferase-1 | protein | 206 | 58% helix, 9% strand | D3U1A5 |
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 | 1138 | 0.79 | 0.81 | 83 | empty |
| 2 | 88 | 0.36 | 0.75 | 21 | empty |
| 3 | 93 | 0.36 | 0.75 | 20 | empty |
| 4 | 52 | 0.24 | 0.72 | 12 | empty |
Interfaces
1 interface between chains.
- A–B · 1346 Ų buried · 19 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 4OFT · C- Orthorombic NaGST1 · the same entry in another collection · chain B against B, 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 D3U1A5
- Elsewhere: RCSB PDB 4OFT · PDBe 4OFT · UniProt D3U1A5
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