Structure of PDB 3qlq Chain C Binding Site BS01

Receptor Information
>3qlq Chain C (length=236) Species: 28958 (Canavalia cathartica) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ADTIVAVELDTYPNTDIGDPSYPHIGIDIKSVRSKKTAKWNMQNGKVGTA
HIIYNSVDKRLSAVVSYPNADSATVSYDVDLDNVLPEWVRVGLSASTGLY
KETNTILSWSFTSKLKSNSTETNALHFMFNQFSKDQKDLILQGDATTGTD
GNLELTRVSSNGSPQGSSVGRALFYAPVHIWESSAVVASFEATFTFLIKS
PDSHPADGIAFFISNIDSSIPSGSTGRLLGLFPDAN
Ligand information
Ligand IDMN
InChIInChI=1S/Mn/q+2
InChIKeyWAEMQWOKJMHJLA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0
[Mn+2]
CACTVS 3.341[Mn++]
FormulaMn
NameMANGANESE (II) ION
ChEMBL
DrugBankDB06757
ZINC
PDB chain3qlq Chain C Residue 238 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3qlq Synthesis and Biophysical Study of Disassembling Nano hybrid Bioconjugates with a Cubic Octasilsesquioxane Core
Resolution1.7 Å
Binding residue
(original residue number in PDB)
E8 D10 D19 H24
Binding residue
(residue number reindexed from 1)
E8 D10 D19 H24
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:3qlq, PDBe:3qlq, PDBj:3qlq
PDBsum3qlq
PubMed
UniProtP81461|CONA_CANCT Concanavalin-A

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