Structure of PDB 3u4x Chain A Binding Site BS01

Receptor Information
>3u4x Chain A (length=236) Species: 232302 (Bionia pedicellata) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ADTIVAVELDTYPNTDIGDPNYQHIGINIKSIRSKATTRWNVQDGKVGTA
HISYNSVAKRLSAIVSYPGGSSATVSYDVDLNNILPEWVRVGLSASTGVY
KETNTILSWSFTSKLKTNSTADAQSLHFTFNQFSQSPKDLILQGDASTDS
DGNLQLTRVSNGSPQSNSVGRALYYAPVHVWDKSAVVASFDATFTFLIKS
PDSDPADGIAFFIANTDSSIPHGSGGRLLGLFPDAN
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 chain3u4x Chain A Residue 237 [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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PDB3u4x Crystal structure of the lectin of Camptosema pedicellatum: implications of a conservative substitution at the hydrophobic subsite.
Resolution2.16 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:0005509 calcium ion binding
GO:0005536 D-glucose binding
GO:0005537 D-mannose binding
GO:0030145 manganese ion binding
GO:0030246 carbohydrate binding
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:3u4x, PDBe:3u4x, PDBj:3u4x
PDBsum3u4x
PubMed22554687
UniProtJ9PBR3|LECA_BIOPE Lectin CPL

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