DrugDomain logoDrugDomain

Attributes

UniProt ID
A0A060GYS1
Protein Name
Phosphotriesterase variant PTE-R0
Ligand Name
(4S)-2-METHYL-2,4-PENTANEDIOL
DrugBank ID
DB03564
PDB Ligand Accession
MPD
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
SVTBMSDMJJWYQN-YFKPBYRVSA-N
SMILES
CC(CC(C)(C)O)O
Drug Action
No data available
Affinity Metrics
No affinity data available

3D Structure

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Mol*
Structure: 5WCR
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Color Legend
Unassigned regionsLigand / hetero atomse5wcrA1e5wcrG1
ECOD domains from experimental PDB structures interacting with ligand DB03564
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
A0A060GYS1DB03564MPD5wcre5wcrA1A:34-354
A0A060GYS1DB03564MPD5wize5wizA1A:36-362
A0A060GYS1DB03564MPD5wize5wizG1G:34-362
A0A060GYS1DB03564MPD5wmse5wmsA1A:34-363
A0A060GYS1DB03564MPD5wmse5wmsG1G:33-363
A0A060GYS1DB03564MPD5wmse5wmsQ1Q:33-363
A0A060GYS1DB03564MPD5wmse5wmsS1S:34-363
A0A060GYS1DB03564MPD6amle6amlA1A:35-363
A0A060GYS1DB03564MPD6amle6amlG1G:34-362
A0A060GYS1DB03564MPD6b2fe6b2fA1A:34-364
A0A060GYS1DB03564MPD6b2fe6b2fG1G:33-364