MolNFT v1 · #118644 · protein
Crystallographic structure of psoe with co
5F8B · Glutathione S-transferase, putative: “Crystallographic structure of psoe with co”. X-ray diffraction, 3 ligands (GSH, PZS, CO), 3 pockets (best druggability 0.49). MolNFT v1 #118644 on GenesisL1: 3D structure, binding sites and…
- PDB
- 5F8B
- Type
- protein
- Length
- 215 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glutathione S-transferase, putative
- UniProt
- Q4WB03
- Ligands
- GSH, PZS, CO
- Pockets
- 3 · best druggability 0.49
Structure
x-ray diffraction · 1 distinct chain · 51% helix, 7% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Glutathione S-transferase, putative | protein | 215 | 51% helix, 7% strand | Q4WB03 |
Ligands and binding sites
- GSH · Glutathione · ligand · chains A
- PZS · (5~{S},8~{S},9~{R})-2-[(~{E})-hex-1-enyl]-8-methoxy-3-methyl-9-oxidanyl-8-(phenylcarbonyl)-1-oxa-7-azaspiro[4.4]non-2-ene-4,6-dione · ligand · chains A
- CO · Cobalt (II) ion · metal · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 129 | 0.49 | 0.79 | 17 | empty |
| 2 | 153 | 0.42 | 0.74 | 30 | GSH |
| 3 | 74 | 0.36 | 0.76 | 15 | empty |
Compared structures
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 Q4WB03
- Elsewhere: RCSB PDB 5F8B · PDBe 5F8B · UniProt Q4WB03
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