Structure of PDB 6frz Chain A Binding Site BS03

Receptor Information
>6frz Chain A (length=327) Species: 293 (Brevundimonas diminuta) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DRINTVRGPITISEAGFTLTHEHICGSSAGFLRAWPEFFGSRAALVEKAV
RGLRRARAAGVRTIVDVSTFDAGRDVSLLAEVSRAADVHIVAATGLWEDP
PLSMRLRSVEELTQFFLREIQYGIEDTGIRAGIIKVATQGKATPFQELVL
RAAARASLATGVPVTTHTFASQRDGEQQAAIFESEGLSPSRVCIGHSDDT
DDLSYLTALAARGYLIGLDGIPHSAIGLEDNASASALLGNRSWQTRALLI
KALIDQGYMKQILVSNDWLFGFSSYVTNIMDVMDSVNPDGMAFIPLRVIP
FLREKGVPQETLAGITVTNPARFLSPT
Ligand information
Ligand IDE4T
InChIInChI=1S/C7H14O4/c1-5-2-6(8,9)4-7(10,11)3-5/h5,8-11H,2-4H2,1H3
InChIKeyKRXGBFOGDIQPEG-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CC1CC(O)(O)CC(O)(O)C1
OpenEye OEToolkits 2.0.6CC1CC(CC(C1)(O)O)(O)O
FormulaC7 H14 O4
Name5-methylcyclohexane-1,1,3,3-tetrol
ChEMBL
DrugBank
ZINC
PDB chain6frz Chain A Residue 404 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6frz Phosphotriesterase PTE_A53_7
Resolution1.65 Å
Binding residue
(original residue number in PDB)		H57 W131 H201 H230 D301 F306
Binding residue
(residue number reindexed from 1)		H23 W97 H167 H196 D267 F272
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H55 H57 K169 H201 H230 D233 G254 D301
Catalytic site (residue number reindexed from 1) H21 H23 K135 H167 H196 D199 G220 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:6frz, PDBe:6frz, PDBj:6frz
PDBsum6frz
PubMed
UniProtP0A434|OPD_BREDI Parathion hydrolase (Gene Name=opd)

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