Structure of PDB 1ez2 Chain B Binding Site BS03

Receptor Information
>1ez2 Chain B (length=329) 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
FLREKGVPQETLAGITVTNPARFLSPTLR
Ligand information
Ligand IDDII
InChIInChI=1S/C7H17O3P/c1-6(2)9-11(5,8)10-7(3)4/h6-7H,1-5H3
InChIKeyWOAFDHWYKSOANX-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(C)OP(=O)(C)OC(C)C
CACTVS 3.341CC(C)O[P](C)(=O)OC(C)C
ACDLabs 10.04O=P(OC(C)C)(OC(C)C)C
FormulaC7 H17 O3 P
NameMETHYLPHOSPHONIC ACID DIISOPROPYL ESTER
ChEMBLCHEMBL1232236
DrugBankDB02127
ZINCZINC000002039561
PDB chain1ez2 Chain B Residue 2403 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1ez2 The binding of substrate analogs to phosphotriesterase.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		W131 H201
Binding residue
(residue number reindexed from 1)		W97 H167
Annotation score1
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:1ez2, PDBe:1ez2, PDBj:1ez2
PDBsum1ez2
PubMed10871616
UniProtP0A434|OPD_BREDI Parathion hydrolase (Gene Name=opd)

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