Structure of PDB 8hq2 Chain E Binding Site BS01

Receptor Information
>8hq2 Chain E (length=516) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KCPAVCTCTKDNALCENARSIPRTVPPDVISLSFVRSGFTEISEGSFNAT
PSLQLLLFTSNSFDVISDDAFIGLPHLEYLFIENNNIKSISRHTFRGLKS
LIHLSLANNNLQTLPKDIFKGLDSLTNVDLRGNSFNCDCKLKWLVEWLGH
TNATVEDIYCEGPPEYKKRKINSLSSKDFDCIITEFAKSQDLPYQSLSID
TFSYLNDEYVVIAQPFTGKCIFLEWDHVEKTFRNYDNITGTSTVVCKPIV
IETQLYVIVAQLFGGSHIYKRDSFANKFIKIQDIEILKIRKPNDIETFKI
ENNWYFVVADSSKAGFTTIYKWNGNGFYSHQSLHAWYRDTDVEYLEIVRT
PQTLRTPHLILSSSSQRPVIYQWNKATQLFTNQTDIPNMEDVYAVKHFSV
KGDVYICLTRFIGDSKVMKWGGSSFQDIQRMPSQGSMVFQPLQINNYQYA
ILGSDYSFTQVYNWDAEKAKFVKFQELNVQAPRSFTHVSINKRNFLFASS
FKGNTQIYKHVIVDLS
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 chain8hq2 Chain E Residue 601 [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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PDB8hq2 Crystal structure of human ADAM22 in complex with human LGI1 mutant
Resolution2.93 Å
Binding residue
(original residue number in PDB)		E336 D381 V382 E383 K436
Binding residue
(residue number reindexed from 1)		E296 D341 V342 E343 K396
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:8hq2, PDBe:8hq2, PDBj:8hq2
PDBsum8hq2
PubMed
UniProtO95970|LGI1_HUMAN Leucine-rich glioma-inactivated protein 1 (Gene Name=LGI1)

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