Structure of PDB 6oms Chain B Binding Site BS02

Receptor Information
>6oms Chain B (length=492) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NETFEKQLKDLTSNVKSIQDNLLEEIITPNTKTEYLQRFLIDRFDKELFK
KNVPIVSYEDIKPYLDRVVNGESSDVISARTITGFLLSSGTSGGAQKMMP
WNNKYLDNLTFIYDLRMQVITKHVKGVEEGKGMMFLFTKQESMTPSGLPA
RVATSSYFKSDYFKNRPSNWYYSYTSPDEVILCPNNTESLYCHLLCGLVQ
RDEVVRTGSIFASVMVRAIEVLKNSWEELCSNIRSGHLSNWVTDLGCQNS
VSLVLGGPRPELADTIEEICNQNSWKGIVKRLWPNTKYIETVVTGSMGQY
VPMLNYYCNDLPLVSTTYGSSETTFGINLDPLCKPEDVSYTFMPNMSYFE
FIPMDGGDKNDVVDLEDVKLGCTYEPVVTNFAGLYRMRVGDIVLVTGFYN
NAPQFKFVRRENVVLSIDSDKTNEEDLFKAVSQAKTSYADTSTFPGHYVV
YLLSTCCLVMEESLDNVYKRCRFKDGSIGPLEIRVVAKFFSI
Ligand information
Ligand IDISJ
InChIInChI=1S/C10H10O6/c1-5(9(12)13)16-8-4-6(10(14)15)2-3-7(8)11/h2-4,7-8,11H,1H2,(H,12,13)(H,14,15)/t7-,8-/m1/s1
InChIKeyWTFXTQVDAKGDEY-HTQZYQBOSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.2C=C(C(=O)O)O[C@@H]1C=C(C=C[C@H]1O)C(=O)O
CACTVS 3.370O[C@@H]1C=CC(=C[C@H]1OC(=C)C(O)=O)C(O)=O
CACTVS 3.370O[CH]1C=CC(=C[CH]1OC(=C)C(O)=O)C(O)=O
ACDLabs 12.01O=C(O)C1=CC(O/C(C(=O)O)=C)C(O)C=C1
OpenEye OEToolkits 1.7.2C=C(C(=O)O)OC1C=C(C=CC1O)C(=O)O
FormulaC10 H10 O6
Name(3R,4R)-3-[(1-carboxyethenyl)oxy]-4-hydroxycyclohexa-1,5-diene-1-carboxylic acid;
Chorismic Acid
ChEMBL
DrugBank
ZINCZINC000003869471
PDB chain6oms Chain B Residue 602 [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]
PDB6oms Brassicaceae-specific Gretchen Hagen 3 acyl acid amido synthetases conjugate amino acids to chorismate, a precursor of aromatic amino acids and salicylic acid.
Resolution1.942 Å
Binding residue
(original residue number in PDB)		Y120 R123 M141 L143 Y181 S216 I217
Binding residue
(residue number reindexed from 1)		Y113 R116 M134 L136 Y174 S209 I210
Annotation score1
Enzymatic activity
Enzyme Commision number 6.3.2.-
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0016874 ligase activity
GO:0052625 N-(4-aminobenzoyl)-L-glutamate synthetase activity
GO:0052626 N-benzoyl-L-glutamate synthetase activity
GO:0052627 N-vanillate-L-glutamate synthetase activity
GO:0052628 N-(4-hydroxybenzoyl)-L-glutamate synthetase activity
Biological Process
GO:0006952 defense response
GO:0009626 plant-type hypersensitive response
GO:0009863 salicylic acid mediated signaling pathway
GO:0010112 regulation of systemic acquired resistance
GO:0016046 detection of fungus
GO:0018874 benzoate metabolic process
GO:0034052 positive regulation of plant-type hypersensitive response
GO:0042742 defense response to bacterium
GO:0071456 cellular response to hypoxia

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:6oms, PDBe:6oms, PDBj:6oms
PDBsum6oms
PubMed31575658
UniProtQ9LYU4|GH312_ARATH 4-substituted benzoates-glutamate ligase GH3.12 (Gene Name=GH3.12)

[Back to BioLiP]