Structure of PDB 6e1q Chain A Binding Site BS01

Receptor Information
>6e1q Chain A (length=569) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MLPKFDPTNQKACLSLLEDLTTNVKQIQDSVLEAILSRNAQTEYLRGFLN
GQVDKQNFKKNVPVVTYEDIRSYIDRIANGEPSDLICDRPISVLLTSSGT
SGGVPKLIPLTTEDLEQRISFSSLYAPLLYKHIDGLSEGKSLIFYFVTRE
SKTANGLMVRTMVTSFLKSIKQTNSLQVSPHAITTCADTTQSMYCQLLCG
LLERDNVARLGAPFASSFLKVIKFLEDHWPELCSNIRTGRLSDWITDATC
TSGIGKFLTAPNPELASLIEQECSKTSWEAILKRLWPKAKCIESIITGTM
AQYIPLLEFYSGGLPLTSSFYGSSECFMGVNFNPLCKPSDVSYTIIPCMG
YFEFLEVEPVVVDLVDVKIGHDYEPVVTTFSGLYRYRVGDVLRATGFYNN
APHFCFVGRQKVVLSIDMDKTYEDDLLKAVTNAKLLLEPHDLMLMDFTSR
VDSSSFPGHYVIYWELGSKVKDAKFEPNRDVMEECCFTVEESLDAVYRKG
RKNDKNIGPLEIKVVKPGAFDELMNFFLSRGSSVSQYKTPRSVTNEEALK
ILEANVISEFLSRKIPSWE
Ligand information
Ligand IDCFA
InChIInChI=1S/C8H6Cl2O3/c9-5-1-2-7(6(10)3-5)13-4-8(11)12/h1-3H,4H2,(H,11,12)
InChIKeyOVSKIKFHRZPJSS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341OC(=O)COc1ccc(Cl)cc1Cl
OpenEye OEToolkits 1.5.0c1cc(c(cc1Cl)Cl)OCC(=O)O
ACDLabs 10.04Clc1cc(Cl)ccc1OCC(=O)O
FormulaC8 H6 Cl2 O3
Name(2,4-DICHLOROPHENOXY)ACETIC ACID;
2,4-DICHLOROPHENOXYACETIC ACID
ChEMBLCHEMBL367623
DrugBank
ZINCZINC000000057143
PDB chain6e1q Chain A Residue 602 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6e1q Modification of auxinic phenoxyalkanoic acid herbicides by the acyl acid amido synthetase GH3.15 from Arabidopsis.
Resolution2.148 Å
Binding residue
(original residue number in PDB)		I143 Y145 V163 R214 A217 P218 E298
Binding residue
(residue number reindexed from 1)		I143 Y145 V163 R209 A212 P213 E293
Annotation score3
Enzymatic activity
Enzyme Commision number 6.3.2.-
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0016874 ligase activity
GO:0070406 glutamine binding
Biological Process
GO:0010249 auxin conjugate metabolic process
Cellular Component
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6e1q, PDBe:6e1q, PDBj:6e1q
PDBsum6e1q
PubMed30315112
UniProtQ8GZ29|GH315_ARATH Indole-3-acetic acid-amido synthetase GH3.15 (Gene Name=GH3.15)

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