Structure of PDB 4yru Chain A Binding Site BS02

Receptor Information
>4yru Chain A (length=151) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LTRKTYFTEKEVQQWYKGFIKDCPSGQLDAAGFQKIYKQFFPFGDPTKFA
TFVFNVFDENKDGRIEFSEFIQALSVTSRGTLDEKLRWAFKLYDLDNDGY
ITRNEMLDIVDAIYQMVGNTTPEKRVDRIFAMMDKNADGKLTLQEFQEGS
K
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 chain4yru Chain A Residue 202 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4yru Neuronal Calcium Sensor-1 Binds the D2 Dopamine Receptor and G-protein-coupled Receptor Kinase 1 (GRK1) Peptides Using Different Modes of Interactions.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		D109 D111 D113 Y115 E120
Binding residue
(residue number reindexed from 1)		D94 D96 D98 Y100 E105
Annotation score5
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0005245 voltage-gated calcium channel activity
GO:0005509 calcium ion binding
GO:0005515 protein binding
GO:0008048 calcium sensitive guanylate cyclase activator activity
GO:0008427 calcium-dependent protein kinase inhibitor activity
GO:0019901 protein kinase binding
GO:0046872 metal ion binding
Biological Process
GO:0010975 regulation of neuron projection development
GO:0045921 positive regulation of exocytosis
GO:0050850 positive regulation of calcium-mediated signaling
GO:0070588 calcium ion transmembrane transport
GO:0099509 regulation of presynaptic cytosolic calcium ion concentration
GO:2000300 regulation of synaptic vesicle exocytosis
Cellular Component
GO:0005737 cytoplasm
GO:0005794 Golgi apparatus
GO:0005886 plasma membrane
GO:0014069 postsynaptic density
GO:0030424 axon
GO:0030425 dendrite
GO:0031045 dense core granule
GO:0044305 calyx of Held
GO:0045202 synapse
GO:0048471 perinuclear region of cytoplasm
GO:0098794 postsynapse
GO:0098978 glutamatergic synapse
GO:0099523 presynaptic cytosol
GO:0099524 postsynaptic cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4yru, PDBe:4yru, PDBj:4yru
PDBsum4yru
PubMed25979333
UniProtP62168|NCS1_RAT Neuronal calcium sensor 1 (Gene Name=Ncs1)

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