Attributes
UniProt ID
Protein Name
L-proline-- ligase
Ligand Name
5'-deoxy-5'-({(2S)-2-({2-[(N-{(2R)-4-[(dioxo-lambda~5~-phosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-beta-alanyl)amino]ethyl}sulfanyl)-2-[(2S)-pyrrolidin-2-yl]ethanesulfonyl}amino)adenosine
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
UUZQPBPCNSKBOR-LCZLERPASA-N
SMILES
CC(C)(COP(=O)=O)C(C(=O)NCCC(=O)NCCSC(CS(=O)(=O)NCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O)C4CCCN4)O
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
Interactive Mol* view for the current protein-molecule pair.
Structure: 6O6E
Hover over the Mol* viewer to rotate or zoom with the mouse. Move the cursor out of the viewer to go back to normal page scrolling and one-click navigation.
Hover inside the viewer to rotate or zoom. Move out to scroll the page or click links normally.
Color Legend
Unassigned regionsLigand / hetero atomse6o6eB1e6o6eB2e6o6eB3e6o6eB4e6o6eE1
ECOD domains from experimental PDB structures interacting with ligand I5M
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| Q4KCY5 | n/a | I5M | 6o6e | e6o6eB1 | B:397-506 |
| Q4KCY5 | n/a | I5M | 6o6e | e6o6eB2 | B:151-327 |
| Q4KCY5 | n/a | I5M | 6o6e | e6o6eB3 | B:328-396 |
| Q4KCY5 | n/a | I5M | 7thq | e7thqA1 | A:328-396 |
| Q4KCY5 | n/a | I5M | 7thq | e7thqA2 | A:149-327 |
| Q4KCY5 | n/a | I5M | 7thq | e7thqA3 | A:397-504 |
| Q4KCY5 | n/a | I5M | 7thq | e7thqA4 | A:1-148 |
| Q4KCY5 | n/a | I5M | 7thq | e7thqB1 | B:149-328 |
| Q4KCY5 | n/a | I5M | 7thq | e7thqB2 | B:397-505 |
| Q4KCY5 | n/a | I5M | 7thq | e7thqB3 | B:329-396 |