DrugDomain logoDrugDomain

Attributes

UniProt ID
F9UT54
Protein Name
Cystathionine beta-synthase
Ligand Name
N-[(3-HYDROXY-2-METHYL-5-{[(TRIHYDROXYPHOSPHORANYL)OXY]METHYL}PYRIDIN-4-YL)METHYLENE]METHIONINE
DrugBank ID
None
PDB Ligand Accession
AA5
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
HPCOPQVFKQIVQF-DMSFABOWSA-N
SMILES
Cc1c(c(c(cn1)COP(=O)(O)O)C=NC(CCSC)C(=O)O)O
Drug Action
No data available
Affinity Metrics
No affinity data available

3D Structure

Interactive Mol* view for the current protein-molecule pair.

Mol*
Structure: 5B1I
Open File
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 atomse5b1iA1e5b1iA2e5b1iB1e5b1iB2e5b1iC1e5b1iC2e5b1iD1e5b1iD2e5b1iE1e5b1iE2e5b1iF1e5b1iF2e5b1iG1e5b1iG2e5b1iH1e5b1iH2
ECOD domains from experimental PDB structures interacting with ligand AA5
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
F9UT54n/aAA55b1ie5b1iA1A:1-148
F9UT54n/aAA55b1ie5b1iA2A:149-303
F9UT54n/aAA55b1ie5b1iB1B:1-148
F9UT54n/aAA55b1ie5b1iB2B:149-303
F9UT54n/aAA55b1ie5b1iC1C:1-148
F9UT54n/aAA55b1ie5b1iC2C:149-303
F9UT54n/aAA55b1ie5b1iD1D:1-148
F9UT54n/aAA55b1ie5b1iD2D:149-303
F9UT54n/aAA55b1ie5b1iE1E:149-303
F9UT54n/aAA55b1ie5b1iE2E:1-148
F9UT54n/aAA55b1ie5b1iF1F:149-303
F9UT54n/aAA55b1ie5b1iF2F:1-148
F9UT54n/aAA55b1ie5b1iG1G:1-148
F9UT54n/aAA55b1ie5b1iG2G:149-303
F9UT54n/aAA55b1ie5b1iH1H:1-148
F9UT54n/aAA55b1ie5b1iH2H:149-303