Structure of PDB 4wqq Chain B Binding Site BS03

Receptor Information
>4wqq Chain B (length=141) Species: 40245 (Cucumaria echinata) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MNQCPTDWEAEGDHCYRFFNTLTTWENAHHECVSYSCSTLNVRSDLVSVH
SAAEQAYVFNYWRGIDSQAGQLWIGLYDKYNEGDFIWTDGSKVGYTKWAG
GEPNNHNNAEDYGQFRHTEGGAWNDNSAAAQAKYMCKLTFE
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 chain4wqq Chain B Residue 203 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4wqq Mannose-recognition mutant of the galactose/N-acetylgalactosamine-specific C-type lectin CEL-I engineered by site-directed mutagenesis.
Resolution1.7 Å
Binding residue
(original residue number in PDB)		E81 D110
Binding residue
(residue number reindexed from 1)		E82 D111
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0038023 signaling receptor activity
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:4wqq, PDBe:4wqq, PDBj:4wqq
PDBsum4wqq
PubMed25869490
UniProtQ7M462

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