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Structure of PDB 8w71 Chain A Binding Site BS01

Receptor Information >8w71 Chain A (length=494) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure] SMNGCDGDFKTPLGTVETRTMTAVLSPAAATERLISAVSELKSQPPSFSS GVVRLQVPIDQQIGAIDWLQAQNEIQPRCFFSRRSDVGRPDLLLRNLVSV AGIGSAVFFRDLDPFSHDDWRSIRRFLSSTSPLIRAYGGMRFDPNGKIAV EWEPFGAFYFSVPQVEFNEFGGSSMLAATIAWDDELSWTLENAIEALQET MLQVSSVVMKLRNRSLGVSVLSKNHVPTKGAYFPAVEKALEMINQKSSPL NRVVLARNSRIITDTDIDPIAWLAQLQREGHDAYQFCLQPPGAPAFIGNT PERLFQRTQLGVCSEALAATRPRAASSARDMEIERDLLTSPKDDLEFSIV RENIREKLNGICDRVVVKPQKTVRKLARVQHLYSQLAGRLTKEDDEYKIL AALHPTPAVCGLPAEEARLLIKEIESFDRGMYAGPIGFFGGEESEFAVGI RSALVEKGLGALIYAGTGIVAGSDPSSEWNELDLKISQFTKSIE

Ligand information Ligand ID ISJ InChI InChI=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 InChIKey WTFXTQVDAKGDEY-HTQZYQBOSA-N SMILES Software SMILES OpenEye OEToolkits 1.7.2 C=C(C(=O)O)O[C@@H]1C=C(C=C[C@H]1O)C(=O)O CACTVS 3.370 O[C@@H]1C=CC(=C[C@H]1OC(=C)C(O)=O)C(O)=O CACTVS 3.370 O[CH]1C=CC(=C[CH]1OC(=C)C(O)=O)C(O)=O ACDLabs 12.01 O=C(O)C1=CC(O/C(C(=O)O)=C)C(O)C=C1 OpenEye OEToolkits 1.7.2 C=C(C(=O)O)OC1C=C(C=CC1O)C(=O)O Formula C10 H10 O6 Name (3R,4R)-3-[(1-carboxyethenyl)oxy]-4-hydroxycyclohexa-1,5-diene-1-carboxylic acid; Chorismic Acid ChEMBL DrugBank ZINC ZINC000003869471 PDB chain 8w71 Chain A Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure Global view Local view Structure 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] PDB 8w71 Structural basis of chorismate isomerization by Arabidopsis ISOCHORISMATE SYNTHASE1. Resolution 2.121 Å Binding residue (original residue number in PDB) R316 E366 A383 T384 H445 A472 Y496 I514 R515 A529 G530 K549 Binding residue (residue number reindexed from 1) R252 E302 A319 T320 H381 A408 Y432 I450 R451 A465 G466 K485 Annotation score 5

Enzymatic activity Enzyme Commision number 5.4.4.2: isochorismate synthase.

Gene Ontology Molecular Function GO:0008909 isochorismate synthase activity GO:0016853 isomerase activity

	Biological Process
GO:0006952	defense response
GO:0009409	response to cold
GO:0009617	response to bacterium
GO:0009627	systemic acquired resistance
GO:0009697	salicylic acid biosynthetic process
GO:0010118	stomatal movement
GO:0031348	negative regulation of defense response
GO:0042372	phylloquinone biosynthetic process
GO:0042742	defense response to bacterium
GO:0050829	defense response to Gram-negative bacterium
GO:0050832	defense response to fungus
GO:0060866	leaf abscission

	Cellular Component
GO:0009507	chloroplast
GO:0009536	plastid

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