Structure of PDB 5kwb Chain A Binding Site BS03

Receptor Information
>5kwb Chain A (length=364) Species: 443239 (Human coronavirus HKU1 (isolate N1)) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VKPVATVHRRIPDLPDCDIDKWLNNFNVPSPLNWERKIFSNCNFNLSTLL
RLVHTDSFSCNNFDESKIYGSCFKSIVLDKFAIPNSRRSDLQLGSSGFLQ
SSNYKIDTTSSSCQLYYSLPAINVTINNYNPSSWNRRYGFNNFNLSSHSV
VYSRYCFSVNNTFCPCAKPSFASSCKSHKPPSASCPIGTNYRSCESTTVL
DHTDWCRCSCLPDPITAYDPRSCSQKKSLVGVGEHCAGFGVDEEKCGVLD
GSYNVSCLCSTDAFLGWSYDTCVSNNRCNIFSNFILNGINSGTTCSNDLL
QPNTEVFTDVCVDYDLYGITGQGIFKEVSAVYYNSWQNLLYDSNGNIIGF
KDFVTNKTYNIFPC
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain5kwb Chain A Residue 711 [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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PDB5kwb Crystal structure of the receptor binding domain of the spike glycoprotein of human betacoronavirus HKU1
Resolution1.91 Å
Binding residue
(original residue number in PDB)		V387 D389 N593 I595
Binding residue
(residue number reindexed from 1)		V77 D79 N283 I285
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:5kwb, PDBe:5kwb, PDBj:5kwb
PDBsum5kwb
PubMed28534504
UniProtQ5MQD0|SPIKE_CVHN1 Spike glycoprotein (Gene Name=S)

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