Attributes
UniProt ID
Protein Name
Probable cystathionine beta-synthase Rv1077
Ligand Name
[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-SERINE
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
ODVKKQWXKRZJLG-VIFPVBQESA-N
SMILES
Cc1c(c(c(cn1)COP(=O)(O)O)CNC(CO)C(=O)O)O
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
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Structure: 7XOY
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Color Legend
Unassigned regionsLigand / hetero atomse7xoyA1e7xoyA2e7xoyA3e7xoyB1e7xoyB2e7xoyB3e7xoyC1e7xoyC2e7xoyC3e7xoyD1e7xoyD2e7xoyD3
ECOD domains from experimental PDB structures interacting with ligand PLS
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| P9WP51 | n/a | PLS | 7xoy | e7xoyA1 | A:157-321 |
| P9WP51 | n/a | PLS | 7xoy | e7xoyA3 | A:3-156 |
| P9WP51 | n/a | PLS | 7xoy | e7xoyB1 | B:157-321 |
| P9WP51 | n/a | PLS | 7xoy | e7xoyB2 | B:3-156 |
| P9WP51 | n/a | PLS | 7xoy | e7xoyC2 | C:157-321 |
| P9WP51 | n/a | PLS | 7xoy | e7xoyC3 | C:3-156 |
| P9WP51 | n/a | PLS | 7xoy | e7xoyD1 | D:3-156 |
| P9WP51 | n/a | PLS | 7xoy | e7xoyD2 | D:157-321 |