Research workbench
Structure of DMP19 complex with 18-crown-6
Analyse Structure of DMP19 complex with 18-crown-6 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3WUR
- Type
- protein
- Length
- 327 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Uncharacterized protein
- UniProt
- Q9K0P4
- Ligands
- O4B, SO4
- Pockets
- 2 · best druggability 0.80
Structure
x-ray diffraction · 2 distinct chains · 76% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Uncharacterized protein | protein | 162 | 77% helix, 0% strand | Q9K0P4 |
| B | Uncharacterized protein | protein | 165 | 75% helix, 0% strand | Q9K0P4 |
Ligands and binding sites
- O4B · 1,4,7,10,13,16-hexaoxacyclooctadecane · ligand · 6 copies · chains A, B
- SO4 · Sulfate ion · ion · 2 copies · chains A, B
- EDO · 1,2-ethanediol · additive · 2 copies · chains A, B
- TLA · L(+)-tartaric acid · additive · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 889 | 0.80 | 0.83 | 78 | O4B |
| 2 | 230 | 0.51 | 0.76 | 23 | EDO, O4B |
Interfaces
1 interface between chains.
- A–B · 1130 Ų buried · 30 hydrogen bonds · protein-protein
Compared structures
- 3WUR · Structure of DMP19 Complex with 18-crown-6 · 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 Q9K0P4
- Elsewhere: RCSB PDB 3WUR · PDBe 3WUR · UniProt Q9K0P4
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