MolNFT v1 · #114266 · protein
Crystal structure of octopus S-crystallin Q108F mutant in complex with glutathione
5B7C · S-crystallin OCTVUS4: “Crystal structure of octopus S-crystallin Q108F mutant in complex with glutathione”. X-ray diffraction, 2 ligands (GSH, SO4), 2 pockets (best druggability 0.52). MolNFT v1 #114266 on GenesisL1: 3D structure…
- PDB
- 5B7C
- Type
- protein
- Length
- 206 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- S-crystallin OCTVUS4
- Ligands
- GSH, SO4
- Pockets
- 2 · best druggability 0.52
Structure
x-ray diffraction · 1 distinct chain · 56% helix, 11% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | S-crystallin OCTVUS4 | protein | 206 | 56% helix, 11% strand | — |
Ligands and binding sites
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 | 137 | 0.52 | 0.80 | 22 | GSH |
| 2 | 62 | 0.32 | 0.75 | 12 | empty |
Modifications
Observed in the structure: 1 covalent (covalent ligand).
Compared structures
- 5B7C · Crystal structure of octopus S-crystallin Q108F mutant in complex with glutathione · 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
- Elsewhere: RCSB PDB 5B7C · PDBe 5B7C
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