Structure of PDB 6e1q Chain A Binding Site BS02

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 603 [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)		V163 F166 F325 F332
Binding residue
(residue number reindexed from 1)		V163 F166 F320 F327
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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