Structure of PDB 4m3c Chain H Binding Site BS03

Receptor Information
>4m3c Chain H (length=239) Species: 132465 (Spatholobus parviflorus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AEETSFVFSKFKPLEPNLILQGDALVTVAGVLQLTNVDSNGVPEPSSLGR
ATYSAPINIWDSATGLVASFATSFRFTIYAPNIATIADGLAFFLAPVASA
PDSGGGFLGLFDSAVGDTTYQTVAVEFDTYENTVFTDPPYTHIGFDVNSI
SSIKTVKWSLANGEAAKVLITYNSAVKLLVASLVYPSSKTSFILADIVDL
SSVLPEWVRVGFSAATGASKGYIETHDVFSWSFASKLAG
Ligand information
Ligand IDABU
InChIInChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)
InChIKeyBTCSSZJGUNDROE-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.370NCCCC(O)=O
ACDLabs 12.01O=C(O)CCCN
OpenEye OEToolkits 1.7.0C(CC(=O)O)CN
FormulaC4 H9 N O2
NameGAMMA-AMINO-BUTANOIC ACID;
GAMMA(AMINO)-BUTYRIC ACID
ChEMBLCHEMBL96
DrugBankDB02530
ZINCZINC000001532620
PDB chain4m3c Chain H Residue 303 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4m3c Structure of a binary complex between homologous tetrameric legume lectins from Butea monosperma and Spatholobus parviflorus seeds
Resolution2.5 Å
Binding residue
(original residue number in PDB)		E2 T4 I57 N58 W207 S235
Binding residue
(residue number reindexed from 1)		E2 T4 I57 N58 W207 S235
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005509 calcium ion binding
GO:0005515 protein binding
GO:0005534 galactose binding
GO:0015066 alpha-amylase inhibitor activity
GO:0030145 manganese ion binding
GO:0030246 carbohydrate binding
GO:0030395 lactose binding
GO:0046872 metal ion binding
Biological Process
GO:0031640 killing of cells of another organism
GO:0050832 defense response to fungus
Cellular Component
GO:0032991 protein-containing complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4m3c, PDBe:4m3c, PDBj:4m3c
PDBsum4m3c
PubMed
UniProtP86353|LECB_SPAPA Seed lectin beta chain

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