Structure of PDB 1eyw Chain A Binding Site BS03

Receptor Information
>1eyw Chain A (length=330) Species: 293 (Brevundimonas diminuta) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DRINTVRGPITISEAGFTLTHEHICGSSAGFLRAWPEFFGSRKALAEKAV
RGLRRARAAGVRTIVDVSTFDIGRDVSLLAEVSRAADVHIVAATGLWFDP
PLSMRLRSVEELTQFFLREIQYGIEDTGIRAGIIKVATTGKATPFQELVL
KAAARASLATGVPVTTHTAASQRDGEQQAAIFESEGLSPSRVCIGHSDDT
DDLSYLTALAARGYLIGLDHIPHSAIGLEDNASASALLGIRSWQTRALLI
KALIDQGYMKQILVSNDWLFGFSSYVTNIMDVMDRVNPDGMAFIPLRVIP
FLREKGVPQETLAGITVTNPARFLSPTLRA
Ligand information
Ligand IDTEN
InChIInChI=1S/C6H15O4P/c1-4-8-11(7,9-5-2)10-6-3/h4-6H2,1-3H3
InChIKeyDQWPFSLDHJDLRL-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=P(OCC)(OCC)OCC
OpenEye OEToolkits 1.5.0CCOP(=O)(OCC)OCC
CACTVS 3.341CCO[P](=O)(OCC)OCC
FormulaC6 H15 O4 P
NameTRIETHYL PHOSPHATE
ChEMBLCHEMBL1236251
DrugBankDB03347
ZINCZINC000001641077
PDB chain1eyw Chain A Residue 403 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1eyw The binding of substrate analogs to phosphotriesterase.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		H57 W131 D301 F306
Binding residue
(residue number reindexed from 1)		H23 W97 D267 F272
Annotation score2
Enzymatic activity
Catalytic site (original residue number in PDB) H55 H57 K169 H201 H230 D233 H254 D301
Catalytic site (residue number reindexed from 1) H21 H23 K135 H167 H196 D199 H220 D267
Enzyme Commision number 3.1.8.1: aryldialkylphosphatase.
Gene Ontology
Molecular Function
GO:0004063 aryldialkylphosphatase activity
GO:0008270 zinc ion binding
GO:0016787 hydrolase activity
GO:0016788 hydrolase activity, acting on ester bonds
GO:0046872 metal ion binding
Biological Process
GO:0009056 catabolic process
Cellular Component
GO:0005886 plasma membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1eyw, PDBe:1eyw, PDBj:1eyw
PDBsum1eyw
PubMed10871616
UniProtP0A434|OPD_BREDI Parathion hydrolase (Gene Name=opd)

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