MolNFT v1 · #88567 · protein
The structure of vanin-1: defining the link between metabolic disease, oxidative stress and inflammation
4CYY · Pantetheinase: “The structure of vanin-1: defining the link between metabolic disease, oxidative stress and inflammation”. X-ray diffraction, 1 ligand (NAG), 3 pockets (best druggability 0.67). MolNFT v1 #88567 on GenesisL1: 3D…
- PDB
- 4CYY
- Type
- protein
- Length
- 461 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Pantetheinase
- EC
- 3.5.1.92
- UniProt
- O95497
- Ligands
- NAG
- Pockets
- 3 · best druggability 0.67
Structure
x-ray diffraction · 1 distinct chain · 18% helix, 36% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Pantetheinase (EC 3.5.1.92) | protein | 461 | 18% helix, 36% strand | O95497 |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 6 copies · 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 | 215 | 0.67 | 0.84 | 24 | empty |
| 2 | 168 | 0.55 | 0.80 | 27 | empty |
| 3 | 71 | 0.32 | 0.74 | 18 | empty |
Modifications
Observed in the structure: 5 glycan, 4 disulfide (N-glycosylation, disulfide).
Compared structures
- 4CYY · The structure of vanin-1: defining the link between metabolic disease, oxidative stress… · the same entry in another collection · chain A against A, TM-score 1.00
- O95497 · AlphaFold monomer V2.0 prediction for pantetheinase (O95497) · a predicted model of the same protein · 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
- Every structure of UniProt O95497
- Elsewhere: RCSB PDB 4CYY · PDBe 4CYY · UniProt O95497
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