Attributes
UniProt ID
Protein Name
Pyruvate kinase PKLR
Ligand Name
(10aP)-6-{[4-(3,4-dihydroxybenzene-1-sulfonyl)phenyl]methyl}-2,3,8,9-tetrahydroxy-5lambda~6~-dibenzo[c,e][1,2]thiazine-5,5(6H)-dione
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
BAXWNPHATMCEIN-UHFFFAOYSA-N
SMILES
c1cc(ccc1CN2c3cc(c(cc3-c4cc(c(cc4S2(=O)=O)O)O)O)O)S(=O)(=O)c5ccc(c(c5)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: 7FS5
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Color Legend
Unassigned regionsLigand / hetero atomse7fs5A1e7fs5A2e7fs5B1e7fs5B2e7fs5C1e7fs5C2e7fs5D1e7fs5D2e7fs5E1e7fs5E2e7fs5F1e7fs5F2e7fs5G1e7fs5G2e7fs5H1e7fs5H2
ECOD domains from experimental PDB structures interacting with ligand O8O
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| P30613 | n/a | O8O | 7fs5 | e7fs5A1 | A:23-408 |
| P30613 | n/a | O8O | 7fs5 | e7fs5A2 | A:409-543 |
| P30613 | n/a | O8O | 7fs5 | e7fs5B1 | B:409-543 |
| P30613 | n/a | O8O | 7fs5 | e7fs5B2 | B:10-408 |
| P30613 | n/a | O8O | 7fs5 | e7fs5C1 | C:19-408 |
| P30613 | n/a | O8O | 7fs5 | e7fs5C2 | C:409-543 |
| P30613 | n/a | O8O | 7fs5 | e7fs5D1 | D:409-543 |
| P30613 | n/a | O8O | 7fs5 | e7fs5D2 | D:21-408 |
| P30613 | n/a | O8O | 7fs5 | e7fs5E1 | E:23-408 |
| P30613 | n/a | O8O | 7fs5 | e7fs5E2 | E:409-543 |
| P30613 | n/a | O8O | 7fs5 | e7fs5F1 | F:11-408 |
| P30613 | n/a | O8O | 7fs5 | e7fs5F2 | F:409-543 |
| P30613 | n/a | O8O | 7fs5 | e7fs5G1 | G:23-408 |
| P30613 | n/a | O8O | 7fs5 | e7fs5G2 | G:409-543 |
| P30613 | n/a | O8O | 7fs5 | e7fs5H1 | H:409-543 |
| P30613 | n/a | O8O | 7fs5 | e7fs5H2 | H:21-408 |