Structure of PDB 6l4m Chain A Binding Site BS01
Receptor Information
>6l4m Chain A (length=357) Species:
4081
(Solanum lycopersicum) [
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NPYLFESQRFRSRFRASHGDFRILERFNQRSQLLKGIEKYRVAILELEPQ
SFVLPHHCDGEAIYVVVKGQGVINIAEQDNKNSFNLQKGDVIRLFAGSNV
YLLNKDNNEKLFVYVLAKSVNAPGNLQEYFSAGGQNPESFYRAFSSDILE
SAFNNPRDKLERLFGQHKEGIIIKASEEQIRAISEHASRSTQGPFNLMKE
RPVFESRFGQFFEARPERYEQLRDLDAAVGFMNINQGGMVLPYYNTKSTK
LVMVIEGNARFEMACYQKIRGNLNVGDVLVIPAGHPITFVATGNSNLRIV
GFGVDAENNKKNFLAGKQNIWRNIDREAKELSFSMPGREVEEIFQRQDQS
YFVAGPE
Ligand information
Ligand ID
SAL
InChI
InChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10)
InChIKey
YGSDEFSMJLZEOE-UHFFFAOYSA-N
SMILES
Software
SMILES
ACDLabs 10.04
O=C(O)c1ccccc1O
OpenEye OEToolkits 1.5.0
c1ccc(c(c1)C(=O)O)O
CACTVS 3.341
OC(=O)c1ccccc1O
Formula
C7 H6 O3
Name
2-HYDROXYBENZOIC ACID;
SALICYLIC ACID
ChEMBL
CHEMBL424
DrugBank
DB00936
ZINC
ZINC000000001554
PDB chain
6l4m Chain A Residue 501 [
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Receptor-Ligand Complex Structure
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PDB
6l4m
Comparative study of 7S globulin from Corylus avellana and Solanum lycopersicum revealed importance of salicylic acid and Cu-binding loop in modulating their function.
Resolution
3.302 Å
Binding residue
(original residue number in PDB)
F228 G247 M249 Y260 N262 K267 V269 G351 K361
Binding residue
(residue number reindexed from 1)
F211 G230 M232 Y243 N245 K250 V252 G301 K311
Annotation score
1
Enzymatic activity
Enzyme Commision number
?
External links
PDB
RCSB:6l4m
,
PDBe:6l4m
,
PDBj:6l4m
PDBsum
6l4m
PubMed
31753489
UniProt
B0JEU3
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