MolNFT v1 · #115127 · protein
Crystal structure of the vicilin from solanum melongena revealed existence of different anionic ligands in structurally similar pockets
5CAD · SM80.1 vicilin: “Crystal structure of the vicilin from solanum melongena revealed existence of different anionic ligands in…”. X-ray diffraction, 2 ligands (PCA, MG), 3 pockets (best druggability 0.77). MolNFT v1 #115127 on…
- PDB
- 5CAD
- Type
- protein
- Length
- 379 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- SM80.1 vicilin
- Ligands
- PCA, MG
- Pockets
- 3 · best druggability 0.77
Structure
x-ray diffraction · 1 distinct chain · 18% helix, 39% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | SM80.1 vicilin | protein | 379 | 18% helix, 39% strand | — |
Ligands and binding sites
- PCA · Pyroglutamic acid · ligand · chains A
- MG · Magnesium ion · metal · chains A
- ACT · Acetate ion · additive · 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, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 77 | 0.77 | 0.99 | 27 | PCA |
| 2 | 79 | 0.52 | 0.84 | 18 | empty |
| 3 | 98 | 0.48 | 0.81 | 21 | empty |
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Elsewhere: RCSB PDB 5CAD · PDBe 5CAD
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