Structure of PDB 1ens Chain A Binding Site BS01

Receptor Information
>1ens Chain A (length=223) Species: 3823 (Canavalia ensiformis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ADTIVAVELDTYPYPHIGIDIKSVRSKKTAKWNMQNGKVGTAHIIYNSVD
KRLSAVVSYPNADSATVSYDVDLDNVLPEWVRVGLSASTGLYKETNTILS
WSFTSKLKSNSTHETNALHFMFNQFSKDQKDLILQGDATTGTDGNLELTR
VSGSSVGRALFYAPVHIWESSAVVASFEATFTFLIKSPDSHPADGIAFFI
SNIDSSIPSGSTGRLLGLFPDAN
Ligand information
Ligand IDCO
InChIInChI=1S/Co/q+2
InChIKeyXLJKHNWPARRRJB-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Co+2]
CACTVS 3.341[Co++]
FormulaCo
NameCOBALT (II) ION
ChEMBL
DrugBankDB14205
ZINC
PDB chain1ens Chain A Residue 238 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1ens Sequential structural changes upon zinc and calcium binding to metal-free concanavalin A.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		E8 D10 H24
Binding residue
(residue number reindexed from 1)		E8 D10 H16
Annotation score3
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0030246 carbohydrate binding

View graph for
Molecular Function
External links
PDB RCSB:1ens, PDBe:1ens, PDBj:1ens
PDBsum1ens
PubMed8663112
UniProtP02866|CONA_CANEN Concanavalin-A

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