Structure of PDB 5n8p Chain D Binding Site BS12

Receptor Information
>5n8p Chain D (length=778) Species: 190650 (Caulobacter vibrioides CB15) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GSTLSLTTGTDTLTGTANNDTFVAGEVAGAATLTVGDTLSGGAGTDVLNW
VQAAAVTALPTGVTISGIETMNVTSGAAITLNTSSGVTGLTALNTNTSGA
AQTVTAGAGQNLTATTAAQAANNVAVDGGANVTVASTGVTSGTTTVGANS
AASGTVSVSVANSSTTTTGAIAVTGGTAVTVAQTAGNAVNTTLTQADVTV
TGNSSTTAVTVTQTAAATAGATVAGRVNGAVTITDSAAASATTAGKIATV
TLGSFGAATIDSSALTTVNLSGTGTSLGIGRGALTATPTANTLTLNVNGL
TTTGAITDSEAAADDGFTTINIAGSTASSTIASLVAADATTLNISGDARV
TITSHTAAALTGITVTNSVGATLGAELATGLVFTGGAGADSILLGATTKA
IVMGAGDDTVTVSSATLGAGGSVNGGDGTDVLVANVNGSSFSADPAFGGF
ETLRVAGAAAQGSHNANGFTALQLGATAGATTFTNVAVNVGLTVLAAPTG
TTTVTLANATGTSDVFNLTLSSSAALAAGTVALAGVETVNIAATDTNTTA
HVDTLTLQATSAKSIVVTGNAGLNLTNTGNTAVTSFDASAVTGTGSAVTF
VSANTTVGEVVTIRGGAGADSLTGSATANDTIIGGAGADTLVYTGGTDTF
TGGTGADIFDINAIGTSTAFVTITDAAVGDKLDLVGISTNGAIADGAFGA
AVTLGAAATLAQYLDAAAAGDGSGTSVAKWFQFGGDTYVVVDSSAGATFV
SGADAVIKLTGLVTLTTSAFATEVLTLA
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 chain5n8p Chain D Residue 9012 [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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PDB5n8p Structure of the hexagonal surface layer on Caulobacter crescentus cells.
Resolution2.7 Å
Binding residue
(original residue number in PDB)		G883 A884 G885 D887 G900 G901 T902 D905
Binding residue
(residue number reindexed from 1)		G635 A636 G637 D639 G652 G653 T654 D657
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005509 calcium ion binding
Cellular Component
GO:0005576 extracellular region
GO:0030115 S-layer

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:5n8p, PDBe:5n8p, PDBj:5n8p
PDBsum5n8p
PubMed28418382
UniProtP35828|SLAP_CAUVC S-layer protein (Gene Name=rsaA)

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