Structure of PDB 4wqq Chain B Binding Site BS01

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 201 [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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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)		D77 E81 N104 E109 D110
Binding residue
(residue number reindexed from 1)		D78 E82 N105 E110 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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