MolNFT v1 · #108200 · protein
Structure of the wnt deacylase notum from drosophila - crystal form II - 1.9A
4UZK: “Structure of the wnt deacylase notum from drosophila - crystal form II - 1.9A”. X-ray diffraction, 1 ligand (NAG), 8 pockets (best druggability 0.70). MolNFT v1 #108200 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4UZK
- Type
- protein
- Length
- 699 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Notum
- EC
- 3.1.1.1
- UniProt
- Q9VUX3
- Ligands
- NAG
- Pockets
- 8 · best druggability 0.70
Structure
x-ray diffraction · 2 distinct chains · 33% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Notum (EC 3.1.1.1) | protein | 349 | 34% helix, 17% strand | Q9VUX3 |
| B | Notum (EC 3.1.1.1) | protein | 350 | 33% helix, 17% strand | Q9VUX3 |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 309 | 0.70 | 0.83 | 37 | empty |
| 2 | 312 | 0.69 | 0.83 | 37 | empty |
| 3 | 305 | 0.54 | 0.75 | 40 | empty |
| 4 | 302 | 0.53 | 0.75 | 38 | empty |
| 5 | 99 | 0.39 | 0.76 | 25 | empty |
Interfaces
1 interface between chains.
- A–B · 557 Ų buried · 7 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 11 disulfide, 2 glycan (disulfide, N-glycosylation).
Compared structures
- 4UZK · Structure of the wnt deacylase notum from drosophila - crystal form II - 1.9A · the same entry in another collection · chain A against A, TM-score 1.00
- Q9VUX3 · AlphaFold monomer V2.0 prediction for palmitoleoyl-protein carboxylesterase notum (Q9VUX3) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 Q9VUX3
- Elsewhere: RCSB PDB 4UZK · PDBe 4UZK · UniProt Q9VUX3
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