Structure of PDB 5kj8 Chain F Binding Site BS04

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 504 [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)		D172 T176 S177
Binding residue
(residue number reindexed from 1)		D32 T36 S37
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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