Structure of PDB 6aq6 Chain A Binding Site BS02

Receptor Information
>6aq6 Chain A (length=239) Species: 49817 (Erythrina crista-galli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VETISFSFSEFEPGNNDLTLQGAAIITQSGVLQLTKINQNGMPAWDSTGR
TLYTKPVHIWDMTTGTVASFETRFSFSIEQPYTRPLPADGLVFFMGPTKS
KPAQGYGYLGVFNNSKQDNSYQTLAVEFDTFSNPWDPPQVPHIGIDVNSI
RSIKTQPFQLDNGQVANVVIKYDASSKILLAVLVYPSSGAIYTIAEIVDV
KQVLPEWVDVGLSGATGAQRDAAETHDVYSWSFHASLPE
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 chain6aq6 Chain A Residue 309 [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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PDB6aq6 Defining the Specificity of Carbohydrate-Protein Interactions by Quantifying Functional Group Contributions.
Resolution1.903 Å
Binding residue
(original residue number in PDB)		D129 F131 N133 D136
Binding residue
(residue number reindexed from 1)		D129 F131 N133 D136
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0030246 carbohydrate binding
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:6aq6, PDBe:6aq6, PDBj:6aq6
PDBsum6aq6
PubMed30086239
UniProtQ6YD91

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