MolNFT v1 · #169005 · protein
Cryoem structure of mouse DUOX1-DUOXA1 complex in the dimer-of-dimer state
6WXU · Dual oxidase 1: “Cryoem structure of mouse DUOX1-DUOXA1 complex in the dimer-of-dimer state”. Electron microscopy, 6 ligands (HEC, PX2, PLC), 20 pockets (best druggability 0.86). MolNFT v1 #169005 on GenesisL1: 3D structure, binding…
- PDB
- 6WXU
- Type
- protein
- Length
- 2,214 residues
- Chains
- 4
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Dual oxidase 1; Dual oxidase maturation factor 1
- UniProt
- A2AQ92, Q8VE49
- Ligands
- HEC, PX2, PLC, MAN, NAG, BMA
- Pockets
- 20 · best druggability 0.86
Structure
electron microscopy · 2 distinct chains · 48% helix, 6% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | Dual oxidase 1 | protein | 834 | 46% helix, 4% strand | A2AQ92 |
| B, D | Dual oxidase maturation factor 1 | protein | 273 | 53% helix, 13% strand | Q8VE49 |
Ligands and binding sites
- HEC · Heme C · ligand · 4 copies · chains A, C
- PX2 · 1,2-dilauroyl-sn-glycero-3-phosphate · ligand · 2 copies · chains A, C
- PLC · Diundecyl phosphatidyl choline · ligand · 2 copies · chains B, C, A, D
- MAN · alpha-D-mannopyranose · sugar · 16 copies · chains B, C, A, D
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 14 copies · chains B, C, D, A
- BMA · beta-D-mannopyranose · sugar · 2 copies · chains B, C, A, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 546 | 0.86 | 0.91 | 73 | empty |
| 2 | 881 | 0.85 | 0.87 | 87 | empty |
| 3 | 1027 | 0.83 | 0.83 | 92 | HEC |
| 4 | 942 | 0.82 | 0.83 | 85 | HEC |
| 5 | 212 | 0.81 | 0.95 | 44 | empty |
Interfaces
5 interfaces between chains.
- B–C · 1514 Ų buried · 6 hydrogen bonds · protein-protein
- A–D · 1511 Ų buried · 7 hydrogen bonds · protein-protein
- C–D · 1502 Ų buried · 8 hydrogen bonds · protein-protein
- A–B · 1488 Ų buried · 8 hydrogen bonds · protein-protein
- A–C · 911 Ų buried · 9 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 12 glycan, 8 disulfide (N-glycosylation, disulfide).
Compared structures
- 6WXU · CryoEM structure of mouse DUOX1-DUOXA1 complex in the dimer-of-dimer state · the same entry in another collection · chain A against A, TM-score 1.00
- Q8VE49 · AlphaFold monomer V2.0 prediction for dual oxidase maturation factor 1 (Q8VE49) · a predicted model of the same protein · chain D against A, TM-score 0.97
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 A2AQ92
- Every structure of UniProt Q8VE49
- Elsewhere: RCSB PDB 6WXU · PDBe 6WXU · UniProt A2AQ92 · UniProt Q8VE49
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.