Structure of PDB 6g3m Chain A Binding Site BS04

Receptor Information
>6g3m 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
RGLRRARAAGVRTIVDVSTFDIGRDVSLLAEVSRAADVHIVAATGLWEDP
PLSMRLRSVEELTQFFLREIQYGIEDTGIRAGIIKVATNGKATPFQELVL
RAAARASLATGVPVTTHTLASQRDGEQQAAIFESEGLSPSRVCIGHSDDT
DDLSYLTALAARGYLIGLDGIPHSAIGLEDNASASALLGNRSWQTRALLI
KALIDQGYMKQILVSNDWLFGFSSYVTNIMDVMDSVNPDGMAFIPLRVIP
FLREKGVSNETLAGITVTNPARFLSPT
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 chain6g3m Chain A Residue 405 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB6g3m Phosphotriesterase PTE_C23M_4
Resolution1.665 Å
Binding residue
(original residue number in PDB)		V341 S342 T345
Binding residue
(residue number reindexed from 1)		V307 S308 T311
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

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:6g3m, PDBe:6g3m, PDBj:6g3m
PDBsum6g3m
PubMed
UniProtP0A434|OPD_BREDI Parathion hydrolase (Gene Name=opd)

[Back to BioLiP]