MolNFT v1 · #111783 · protein
Recombinantly expressed latent aurone synthase (polyphenol oxidase) co-crystallized with HEXATUNGSTOTELLURATE(VI)
4Z12: “Recombinantly expressed latent aurone synthase (polyphenol oxidase) co-crystallized with…”. X-ray diffraction, 4 ligands (TEW, W, CU), 13 pockets (best druggability 0.83). MolNFT v1 #111783 on GenesisL1: 3D structure, binding sites…
- PDB
- 4Z12
- Type
- protein
- Length
- 1,007 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Aurone synthase
- UniProt
- A0A075DN54
- Ligands
- TEW, W, CU, TE
- Pockets
- 13 · best druggability 0.83
Structure
x-ray diffraction · 2 distinct chains · 28% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Aurone synthase | protein | 504 | 28% helix, 19% strand | A0A075DN54 |
| B | Aurone synthase | protein | 503 | 27% helix, 20% strand | A0A075DN54 |
Ligands and binding sites
- TEW · 6-tungstotellurate(VI) · ligand · 2 copies · chains A, B
- W · Tungsten ion · metal · 7 copies · chains A, B
- CU · Copper (II) ion · metal · 4 copies · chains A, B
- TE · Tellurium · ion · chains B
- GOL · Glycerol · additive · 4 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
13 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 886 | 0.83 | 0.85 | 78 | empty |
| 2 | 155 | 0.56 | 0.81 | 28 | empty |
| 3 | 109 | 0.55 | 0.84 | 22 | empty |
| 4 | 131 | 0.50 | 0.80 | 24 | empty |
| 5 | 51 | 0.44 | 0.84 | 15 | W |
Interfaces
1 interface between chains.
- A–B · 770 Ų buried · 14 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 disulfide (disulfide).
Compared structures
- 4Z12 · Recombinantly expressed latent aurone synthase (polyphenol oxidase) co-crystallized with… · 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
- Every structure of UniProt A0A075DN54
- Elsewhere: RCSB PDB 4Z12 · PDBe 4Z12 · UniProt A0A075DN54
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