DrugDomain logoDrugDomain

Attributes

UniProt ID
Q81Q29
Protein Name
D-alanine--D-alanine ligase
Ligand Name
ADENOSINE-5'-TRIPHOSPHATE
DrugBank ID
DB00171
PDB Ligand Accession
ATP
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
ZKHQWZAMYRWXGA-KQYNXXCUSA-N
SMILES
c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N
Drug Action
No data available
Affinity Metrics
No affinity data available

3D Structure

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

Mol*
Structure: 3R5X
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 atomse3r5xA1e3r5xA2e3r5xB1e3r5xB2e3r5xC1e3r5xC2e3r5xD1e3r5xD2
ECOD domains from experimental PDB structures interacting with ligand DB00171
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
Q81Q29DB00171ATP3r5xe3r5xA1A:95-303
Q81Q29DB00171ATP3r5xe3r5xA2A:-2-94
Q81Q29DB00171ATP3r5xe3r5xB1B:95-303
Q81Q29DB00171ATP3r5xe3r5xB2B:0-94
Q81Q29DB00171ATP3r5xe3r5xC1C:95-304
Q81Q29DB00171ATP3r5xe3r5xC2C:0-94
Q81Q29DB00171ATP3r5xe3r5xD1D:95-304
Q81Q29DB00171ATP3r5xe3r5xD2D:-1-94