Attributes
UniProt ID
Protein Name
2-hydroxyacyl-CoA lyase
Ligand Name
S-{(3R,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} 2-hydroxy-2-methylpropanethioate
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
FFVUICCDNWZCRC-ZSJPKINUSA-N
SMILES
CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)C(C)(C)O)O
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
Interactive Mol* view for the current protein-molecule pair.
Structure: 7PT1
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Color Legend
Unassigned regionsLigand / hetero atomse7pt1A1e7pt1A2e7pt1A3e7pt1B1e7pt1B2e7pt1B3
ECOD domains from experimental PDB structures interacting with ligand 3KK
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| P0DUV9 | n/a | 3KK | 7pt1 | e7pt1A1 | A:200-378,A:562-588 |
| P0DUV9 | n/a | 3KK | 7pt1 | e7pt1A2 | A:379-561 |
| P0DUV9 | n/a | 3KK | 7pt1 | e7pt1A3 | A:15-199 |
| P0DUV9 | n/a | 3KK | 7pt1 | e7pt1B1 | B:379-561 |
| P0DUV9 | n/a | 3KK | 7pt1 | e7pt1B2 | B:16-199 |
| P0DUV9 | n/a | 3KK | 7pt1 | e7pt1B3 | B:200-378 |
| P0DUV9 | n/a | 3KK | 7pt2 | e7pt2A1 | A:15-199 |
| P0DUV9 | n/a | 3KK | 7pt2 | e7pt2A2 | A:200-378,A:562-588 |
| P0DUV9 | n/a | 3KK | 7pt2 | e7pt2A3 | A:379-561 |
| P0DUV9 | n/a | 3KK | 7pt2 | e7pt2B1 | B:200-378 |
| P0DUV9 | n/a | 3KK | 7pt2 | e7pt2B2 | B:16-199 |
| P0DUV9 | n/a | 3KK | 7pt2 | e7pt2B3 | B:379-561 |
| P0DUV9 | n/a | 3KK | 7pt3 | e7pt3A1 | A:15-199 |
| P0DUV9 | n/a | 3KK | 7pt3 | e7pt3A2 | A:200-378,A:562-588 |
| P0DUV9 | n/a | 3KK | 7pt3 | e7pt3A3 | A:379-561 |
| P0DUV9 | n/a | 3KK | 7pt3 | e7pt3B1 | B:16-199 |
| P0DUV9 | n/a | 3KK | 7pt3 | e7pt3B2 | B:200-378 |
| P0DUV9 | n/a | 3KK | 7pt3 | e7pt3B3 | B:379-561 |