Structure of PDB 5z8y Chain B Binding Site BS01

Receptor Information
>5z8y Chain B (length=178) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SHAGTTYIFSKGGGQITYKWPPNDRPSTRADRLAIGFSTVQKEAVLVRVD
SSSGLGDYLELHIHQGKIGVKFNVGTDDIAIEESNAIINDGKYHVVRFTR
SGGNATLQVDSWPVIERYPAGRQLTIFNSQATIIIGGKEQGQPFQGQLSG
LYYNGLKVLNMAAENDANIAIVGNVRLV
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 chain5z8y Chain B Residue 301 [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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PDB5z8y Structural insights into modulation and selectivity of transsynaptic neurexin-LRRTM interaction.
Resolution3.4 Å
Binding residue
(original residue number in PDB)		D141 V158 I210 F211 N212
Binding residue
(residue number reindexed from 1)		D57 V74 I126 F127 N128
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:5z8y, PDBe:5z8y, PDBj:5z8y
PDBsum5z8y
PubMed30262834
UniProtP58400|NRX1B_HUMAN Neurexin-1-beta (Gene Name=NRXN1)

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