Structure of PDB 5eyy Chain A Binding Site BS03

Receptor Information
>5eyy Chain A (length=239) Species: 500182 (Centrolobium tomentosum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SDSLSFSFINFDQDERNVIAQGDARISGNNILQLTRTDSDGTPVRSTVGR
ILYSAQVRLWEKSTNRVANFQSQFSFFLESPLSNPADGIAFFIAPPDTAI
PSGSAGGLLGLFSPKTAQNESANQVLAVEFDTFYAQNSNTWDPNYPHIGI
DVNSIKSAKTVRWERREGVTLNVLVTYNPSTKTLDVVATYPDGQRYQISV
VVDVTTVLPEWVRVGFSAASGEQFQTHNLESWSFTSTLL
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 chain5eyy Chain A Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5eyy Structural analysis of Centrolobium tomentosum seed lectin with inflammatory activity.
Resolution1.902 Å
Binding residue
(original residue number in PDB)		D131 F133 N139 D142
Binding residue
(residue number reindexed from 1)		D131 F133 N139 D142
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005537 D-mannose binding
GO:0030246 carbohydrate binding
GO:0046872 metal ion binding
GO:0090729 toxin activity
Biological Process
GO:0035821 modulation of process of another organism

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Molecular Function
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Biological Process
External links
PDB RCSB:5eyy, PDBe:5eyy, PDBj:5eyy
PDBsum5eyy
PubMed26946944
UniProtC0HJX1|LECC1_CENTO Mannose/glucose-specific lectin

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