Structure of PDB 8hq1 Chain D Binding Site BS01

Receptor Information
>8hq1 Chain D (length=515) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KCPAVCTCTKDNALCENARSIPRTVPPDVISLSFVRSGFTEISEGSFLFT
PSLQLLLFTSNSFDVISDDAFIGLPHLEYLFIENNNIKSISRHTFRGLKS
LIHLSLANNNLQTLPKDIFKGLDSLTNVDLRGNSFNCDCKLKWLVEWLGH
TNATVEDIYCEGPPEYKKRKINSLSSKDFDCIITEFAKSQDLPYQSLSID
TFSYLNDEYVVIAQPFTGKCIFLEWDHVEKTFRNYDNITGTSTVVCKPIV
IETQLYVIVAQLFGGSHIYKRDSFANKFIKIQDIEILKIRKPNDIETFKI
ENNWYFVVADSSKAGFTTIYKWNGNGFYSHQSLHAWYRDTDVEYLEIVRT
PQTLRTPHLILSSSSQRPVIYQWNKATQLFTNQTDIPNMEDVYAVKHFSV
KGDVYICLTRFIGDSKVMKWGGSSFQDIQRMPSRGSMVFQPLQINNYQYA
ILGSDYSFTQVYNWDAEKAKFVKFQELNVQAPRSFTHVSINKRNFLFASS
FKGNTQIYKHVIVDL
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 chain8hq1 Chain D Residue 604 [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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PDB8hq1 Structure Of Human Lgi1-Adam22 Complex In Space Group C2
Resolution4.17 Å
Binding residue
(original residue number in PDB)		D334 D381 V382
Binding residue
(residue number reindexed from 1)		D294 D341 V342
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005102 signaling receptor binding
GO:0005515 protein binding
Biological Process
GO:0007399 nervous system development
GO:0007411 axon guidance
GO:0030307 positive regulation of cell growth
GO:0031175 neuron projection development
GO:0050806 positive regulation of synaptic transmission
GO:0099645 neurotransmitter receptor localization to postsynaptic specialization membrane
Cellular Component
GO:0005576 extracellular region
GO:0005615 extracellular space
GO:0005737 cytoplasm
GO:0005783 endoplasmic reticulum
GO:0005794 Golgi apparatus
GO:0030425 dendrite
GO:0043083 synaptic cleft
GO:0043194 axon initial segment
GO:0045202 synapse
GO:0098978 glutamatergic synapse

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8hq1, PDBe:8hq1, PDBj:8hq1
PDBsum8hq1
PubMed
UniProtO95970|LGI1_HUMAN Leucine-rich glioma-inactivated protein 1 (Gene Name=LGI1)

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