Structure of PDB 1y7i Chain B Binding Site BS01

Receptor Information
>1y7i Chain B (length=262) Species: 4097 (Nicotiana tabacum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EGKHFVLVHGACHGGWSWYKLKPLLEAAGHKVTALDLAASGTDLRKIEEL
RTLYDYTLPLMELMESLSADEKVILVGHSLGGMNLGLAMEKYPQKIYAAV
FLAAFMPDSVHNSSFVLEQYNERTPAENWLDTQFLPYGSPEEPLTSMFFG
PKFLAHKLYQLCSPEDLALASSLVRPSSLFMEDLSKAKYFTDERFGSVKR
VYIVCTEDKGIPEEFQRWQIDNIGVTEAIEIKGADHMAMLCEPQKLCASL
LEIAHKYNLEHH
Ligand information
Ligand IDSAL
InChIInChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10)
InChIKeyYGSDEFSMJLZEOE-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)c1ccccc1O
OpenEye OEToolkits 1.5.0c1ccc(c(c1)C(=O)O)O
CACTVS 3.341OC(=O)c1ccccc1O
FormulaC7 H6 O3
Name2-HYDROXYBENZOIC ACID;
SALICYLIC ACID
ChEMBLCHEMBL424
DrugBankDB00936
ZINCZINC000000001554
PDB chain1y7i Chain B Residue 503 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB1y7i Structural and biochemical studies identify tobacco SABP2 as a methyl salicylate esterase and implicate it in plant innate immunity
Resolution2.1 Å
Binding residue
(original residue number in PDB)		A13 S81 L82 F107 H238
Binding residue
(residue number reindexed from 1)		A11 S79 L80 F105 H236
Annotation score2
Binding affinityMOAD: Kd=90nM
Enzymatic activity
Catalytic site (original residue number in PDB) G12 S81 L82 D210 H238 M239
Catalytic site (residue number reindexed from 1) G10 S79 L80 D208 H236 M237
Enzyme Commision number 3.1.1.-
Gene Ontology
Molecular Function
GO:0016298 lipase activity
GO:0016787 hydrolase activity
GO:0080030 methyl indole-3-acetate esterase activity
GO:0080031 methyl salicylate esterase activity
GO:0080032 methyl jasmonate esterase activity
Biological Process
GO:0009694 jasmonic acid metabolic process
GO:0009696 salicylic acid metabolic process
GO:0009862 systemic acquired resistance, salicylic acid mediated signaling pathway
GO:0045087 innate immune response

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:1y7i, PDBe:1y7i, PDBj:1y7i
PDBsum1y7i
PubMed15668381
UniProtQ6RYA0|SABP2_TOBAC Salicylic acid-binding protein 2 (Gene Name=SABP2)

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