Structure of PDB 5f2q Chain A Binding Site BS01

Receptor Information
>5f2q Chain A (length=134) Species: 8726 (Bothrops jararacussu) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NCPQDWLPMNGLCYKIFNELKAWKDAEMFCRKYKPGCHLASIHLYGESPE
IAEYISDYHKGQSEVWIGLCDKKKDFSWEWTDRSCTDYLSWDKNQPDHYQ
NKEFCVELVSNTGYRLWNDQVCESKNAFLCQCKF
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 chain5f2q Chain A Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5f2q C-type lectin from Bothrops jararacussu
Resolution2.95 Å
Binding residue
(original residue number in PDB)		Q96 D98 E104 N119 D120
Binding residue
(residue number reindexed from 1)		Q95 D97 E103 N118 D119
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0030246 carbohydrate binding
GO:0038023 signaling receptor activity
GO:0046872 metal ion binding
Biological Process
GO:0030308 negative regulation of cell growth
Cellular Component
GO:0005576 extracellular region

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5f2q, PDBe:5f2q, PDBj:5f2q
PDBsum5f2q
PubMed
UniProtP83519|LECG_BOTJR C-type lectin BJcuL

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