Structure of PDB 4i30 Chain A Binding Site BS01

Receptor Information
>4i30 Chain A (length=232) Species: 28957 (Canavalia lineata) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ADTIVAVELDTYPNTDIGDPSYPHIGIDIKSVRSKKTAKWNMQNGKVGTA
HIIYNSVGKRLSAVVSYPNGDSATVSYDVDLDNVLPEWVRVGLSASTGLY
KETNTILSWSFTSKLKSTNALHFVFNQFSKDQKDLILQGDATTGTDGNLE
LTRVSSNGSPQGSSVGRALFYAPVHIWESSAVVASFDATFTFLIKSSDSH
PADGIAFFISNIDSSIPSGSTGRLLGLFPDAN
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain4i30 Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4i30 Crystal structure of Canavalia maritima seeds lectin (ConM) co-crystalized with gamma-aminobutyric acid (GABA) and soaked with adenine
Resolution1.89 Å
Binding residue
(original residue number in PDB)		D10 Y12 N14 D19
Binding residue
(residue number reindexed from 1)		D10 Y12 N14 D19
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0005537 D-mannose binding
GO:0030246 carbohydrate binding
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:4i30, PDBe:4i30, PDBj:4i30
PDBsum4i30
PubMed
UniProtP81460|CONA_CANLI Concanavalin-A

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