Research workbench
Unda complexed with 2,3-dodecenoic acid
Analyse Unda complexed with 2,3-dodecenoic acid in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4WWZ
- Type
- protein
- Length
- 512 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- TENA/THI-4 family protein
- UniProt
- Q4K8M0
- Ligands
- 3X1, PSL, FE, SO4, OXY
- Pockets
- 7 · best druggability 0.79
Structure
x-ray diffraction · 1 distinct chain · 76% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | TENA/THI-4 family protein | protein | 256 | 76% helix, 0% strand | Q4K8M0 |
Ligands and binding sites
- 3X1 · (2E)-dodec-2-enoic acid · ligand · 2 copies · chains A, B
- PSL · Pyrosulfate · ligand · 2 copies · chains A, B
- FE · Fe (III) ion · metal · 2 copies · chains A, B
- SO4 · Sulfate ion · ion · 8 copies · chains A, B
- OXY · Oxygen molecule · ion · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 113 | 0.79 | 0.98 | 24 | 3X1 |
| 2 | 107 | 0.78 | 0.97 | 23 | 3X1 |
| 3 | 327 | 0.59 | 0.77 | 37 | empty |
| 4 | 279 | 0.56 | 0.77 | 32 | empty |
| 5 | 76 | 0.45 | 0.81 | 20 | empty |
Interfaces
1 interface between chains.
- A–B · 822 Ų buried · 11 hydrogen bonds · protein-protein
Compared structures
- 4WWZ · UndA complexed with 2,3-dodecenoic acid · 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 Q4K8M0
- Elsewhere: RCSB PDB 4WWZ · PDBe 4WWZ · UniProt Q4K8M0
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.