Structure of PDB 5kj8 Chain F Binding Site BS03

Receptor Information
>5kj8 Chain F (length=274) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KLGKLQYSLDYDFQNNQLLVGIIQAAELPALDMGGTSDPYVKVFLLPDKK
KKFETKVHRKTLNPVFNEQFTFKVPYSELGGKTLVMAVYDFDRFSKHDII
GEFKVPMNTVDFGHVTEEWRDLQSAEKEEQLGDICFSLRYVPTAGKLTVV
ILEAKNLKKMDGLSDPYVKIHLMQNGKRLKKKKTTIKKNTLNPYYNESFS
FEVPFEQIQKVQVVVTVLDYDKIGKNDAIGKVFVGYNSTGAELRHWSDML
ANPRRPIAQWHTLQVEEEVDAMLA
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 chain5kj8 Chain F Residue 503 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5kj8 Advances in X-ray free electron laser (XFEL) diffraction data processing applied to the crystal structure of the synaptotagmin-1 / SNARE complex.
Resolution4.1 Å
Binding residue
(original residue number in PDB)		D303 S308 D309 D363 Y364
Binding residue
(residue number reindexed from 1)		D161 S164 D165 D219 Y220
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology

View graph for
Cellular Component
External links
PDB RCSB:5kj8, PDBe:5kj8, PDBj:5kj8
PDBsum5kj8
PubMed27731796
UniProtP21707|SYT1_RAT Synaptotagmin-1 (Gene Name=Syt1)

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