MolNFT v1 · #111780 · protein
Inactive aurone synthase (polyphenol oxidase) from natural source, sulfohistidine ~ 90 %
4Z0Z: “Inactive aurone synthase (polyphenol oxidase) from natural source, sulfohistidine ~ 90 %”. X-ray diffraction, 1 ligand (CU), 19 pockets (best druggability 0.83). MolNFT v1 #111780 on GenesisL1: 3D structure, binding sites and…
- PDB
- 4Z0Z
- Type
- protein
- Length
- 1,425 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Aurone synthase
- UniProt
- A0A075DN54
- Ligands
- CU
- Pockets
- 19 · best druggability 0.83
Structure
x-ray diffraction · 5 distinct chains · 34% helix, 9% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Aurone synthase | protein | 347 | 37% helix, 10% strand | A0A075DN54 |
| E | Aurone synthase | protein | 10 | 0% helix, 0% strand | A0A075DN54 |
| F | Aurone synthase | protein | 9 | 0% helix, 0% strand | A0A075DN54 |
| G | Aurone synthase | protein | 9 | 0% helix, 0% strand | A0A075DN54 |
| H | Aurone synthase | protein | 9 | 0% helix, 0% strand | A0A075DN54 |
Ligands and binding sites
- CU · Copper (II) ion · metal · 4 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
19 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 618 | 0.83 | 0.88 | 68 | empty |
| 2 | 495 | 0.79 | 0.86 | 66 | empty |
| 3 | 786 | 0.78 | 0.82 | 80 | empty |
| 4 | 59 | 0.52 | 0.87 | 14 | empty |
| 5 | 102 | 0.48 | 0.81 | 16 | empty |
Interfaces
11 interfaces between chains.
- A–B · 704 Ų buried · 10 hydrogen bonds · protein-protein
- B–C · 404 Ų buried · 2 hydrogen bonds · protein-protein
- B–D · 339 Ų buried · 8 hydrogen bonds · protein-protein
- B–G · 315 Ų buried · 0 hydrogen bonds · protein-protein
- C–G · 261 Ų buried · 1 hydrogen bond · protein-protein
Modifications
Observed in the structure: 12 disulfide, 4 modified (disulfide, nonstandard).
Compared structures
- 4Z0Z · Inactive aurone synthase (polyphenol oxidase) from natural source, sulfohistidine ~ 90 % · 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 4Z0Z · PDBe 4Z0Z · UniProt A0A075DN54
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