Structure of PDB 6g1j Chain A Binding Site BS03

Receptor Information
>6g1j Chain A (length=331) Species: 293 (Brevundimonas diminuta) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GDRINTVRGPITISEAGFTLTHEHICGSSAGFLRAWPEFFGSRAALVEKA
VRGLRRARAAGVRTIVDVSTFDIGRDVSLLAEVSRAADVHIVAATGLWED
PPLSMRLRSVEELTQFFLREIQYGIEDTGIRAGIIKVATNGKATPFQELV
LRAAARASLATGVPVTTHTLASQRDGEQQAAIFESEGLSPSRVCIGHSDD
TDDLSYLTALAARGYLIGLDGIPHSAIGLEDNASASALLGNRSWQTRALL
IKALIDQGYMKQILVSNDWLFGFSSYVTNIMDVMDSVNPDGMAFIPLRVI
PFLREKGVSNETLAGITVTNPARFLSPTLRA
Ligand information
Ligand IDE8N
InChIInChI=1S/C9H18/c1-3-9(2)7-5-4-6-8-9/h3-8H2,1-2H3
InChIKeyYPJRYQGOKHKNKZ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CCC1(C)CCCCC1
OpenEye OEToolkits 2.0.6CCC1(CCCCC1)C
FormulaC9 H18
Name1-ethyl-1-methyl-cyclohexane
ChEMBL
DrugBank
ZINCZINC000001699426
PDB chain6g1j Chain A Residue 413 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6g1j Phosphotriesterase PTE_C23M_1
Resolution2.1 Å
Binding residue
(original residue number in PDB)		S342 T345
Binding residue
(residue number reindexed from 1)		S309 T312
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) H22 H24 K136 H168 H197 D200 G221 D268
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:6g1j, PDBe:6g1j, PDBj:6g1j
PDBsum6g1j
PubMed
UniProtP0A434|OPD_BREDI Parathion hydrolase (Gene Name=opd)

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