Attributes
UniProt ID
Protein Name
Penicillin-binding protein 1
Ligand Name
4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID
DrugBank ID
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
JKMHFZQWWAIEOD-UHFFFAOYSA-N
SMILES
C1CN(CCN1CCO)CCS(=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.
Structure: 7O49
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Color Legend
Unassigned regionsLigand / hetero atomse7o49A1e7o49A2e7o49A3e7o49A4e7o49B1e7o49B2e7o49B3e7o49B4e7o49C1e7o49C2e7o49C3e7o49C4e7o49D1e7o49D2e7o49D3e7o49D4e7o49E1e7o49E2e7o49E3e7o49E4e7o49F1e7o49F2e7o49F3e7o49F4e7o49G1e7o49G2e7o49G3e7o49G4e7o49H1e7o49H2e7o49H3e7o49H4e7o49I1e7o49I2e7o49I3e7o49I4e7o49J1e7o49J2e7o49J3e7o49J4e7o49K1e7o49K2e7o49K3e7o49K4e7o49L1e7o49L2e7o49L3e7o49L4
ECOD domains from experimental PDB structures interacting with ligand DB16872
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| A0A0H2WVW5 | DB16872 | EPE | 7o49 | e7o49A2 | A:243-309,A:427-591 |
| A0A0H2WVW5 | DB16872 | EPE | 7o49 | e7o49A4 | A:310-426 |
| A0A0H2WVW5 | DB16872 | EPE | 7o49 | e7o49B1 | B:310-426 |
| A0A0H2WVW5 | DB16872 | EPE | 7o49 | e7o49B3 | B:243-309,B:427-590 |
| A0A0H2WVW5 | DB16872 | EPE | 7o49 | e7o49C3 | C:310-426 |
| A0A0H2WVW5 | DB16872 | EPE | 7o49 | e7o49C4 | C:243-309,C:427-589 |
| A0A0H2WVW5 | DB16872 | EPE | 7o49 | e7o49D2 | D:310-426 |
| A0A0H2WVW5 | DB16872 | EPE | 7o49 | e7o49D3 | D:243-309,D:427-589 |
| A0A0H2WVW5 | DB16872 | EPE | 7o49 | e7o49E2 | E:243-309,E:427-590 |
| A0A0H2WVW5 | DB16872 | EPE | 7o49 | e7o49E3 | E:310-426 |
| A0A0H2WVW5 | DB16872 | EPE | 7o49 | e7o49F2 | F:243-309,F:427-591 |
| A0A0H2WVW5 | DB16872 | EPE | 7o49 | e7o49F4 | F:310-426 |
| A0A0H2WVW5 | DB16872 | EPE | 7o49 | e7o49G1 | G:310-426 |
| A0A0H2WVW5 | DB16872 | EPE | 7o49 | e7o49G4 | G:243-309,G:427-589 |
| A0A0H2WVW5 | DB16872 | EPE | 7o49 | e7o49H3 | H:243-309,H:427-590 |
| A0A0H2WVW5 | DB16872 | EPE | 7o49 | e7o49H4 | H:310-426 |
| A0A0H2WVW5 | DB16872 | EPE | 7o49 | e7o49I2 | I:310-426 |
| A0A0H2WVW5 | DB16872 | EPE | 7o49 | e7o49I3 | I:243-309,I:427-589 |
| A0A0H2WVW5 | DB16872 | EPE | 7o49 | e7o49J1 | J:243-309,J:427-590 |
| A0A0H2WVW5 | DB16872 | EPE | 7o49 | e7o49J2 | J:310-426 |