Attributes
UniProt ID
Protein Name
Flower-specific defensin
Ligand Name
[(2R)-2-octanoyloxy-3-[oxidanyl-[(1R,2R,3S,4R,5R,6S)-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propyl] octanoate
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
XLNCEHRXXWQMPK-MJUMVPIBSA-N
SMILES
CCCCCCCC(=O)OCC(COP(=O)(O)OC1C(C(C(C(C1O)OP(=O)(O)O)OP(=O)(O)O)O)O)OC(=O)CCCCCCC
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
Interactive Mol* view for the current protein-molecule pair.
Structure: 4CQK
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Color Legend
Unassigned regionsLigand / hetero atomse4cqkA1e4cqkB1e4cqkC1e4cqkD1e4cqkE1e4cqkF1e4cqkG1e4cqkH1e4cqkI1e4cqkJ1e4cqkK1e4cqkL1e4cqkM1e4cqkN1
ECOD domains from experimental PDB structures interacting with ligand PIO
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| Q8GTM0 | n/a | PIO | 4cqk | e4cqkA1 | A:1-47 |
| Q8GTM0 | n/a | PIO | 4cqk | e4cqkB1 | B:1-47 |
| Q8GTM0 | n/a | PIO | 4cqk | e4cqkC1 | C:1-47 |
| Q8GTM0 | n/a | PIO | 4cqk | e4cqkD1 | D:1-47 |
| Q8GTM0 | n/a | PIO | 4cqk | e4cqkE1 | E:1-47 |
| Q8GTM0 | n/a | PIO | 4cqk | e4cqkF1 | F:1-47 |
| Q8GTM0 | n/a | PIO | 4cqk | e4cqkG1 | G:1-47 |
| Q8GTM0 | n/a | PIO | 4cqk | e4cqkH1 | H:1-47 |
| Q8GTM0 | n/a | PIO | 4cqk | e4cqkI1 | I:1-47 |
| Q8GTM0 | n/a | PIO | 4cqk | e4cqkJ1 | J:1-47 |
| Q8GTM0 | n/a | PIO | 4cqk | e4cqkK1 | K:1-47 |
| Q8GTM0 | n/a | PIO | 4cqk | e4cqkL1 | L:1-47 |
| Q8GTM0 | n/a | PIO | 4cqk | e4cqkM1 | M:1-47 |
| Q8GTM0 | n/a | PIO | 4cqk | e4cqkN1 | N:1-47 |