Structure of PDB 5n97 Chain A Binding Site BS17

Receptor Information

>5n97 Chain A (length=778) Species: 565050 (Caulobacter vibrioides NA1000)

GSTLSLTTGTDTLTGTANNDTFVAGEVAGAATLTVGDTLSGGAGTDVLNW
VQAAAVTALPTGVTISGIETMNVTSGAAITLNTSSGVTGLTALNTNTSGA
AQTVTAGAGQNLTATTAAQAANNVAVDGGANVTVASTGVTSGTTTVGANS
AASGTVSVSVANSSTTTTGAIAVTGGTAVTVAQTAGNAVNTTLTQADVTV
TGNSSTTAVTVTQTAAATAGATVAGRVNGAVTITDSAAASATTAGKIATV
TLGSFGAATIDSSALTTVNLSGTGTSLGIGRGALTATPTANTLTLNVNGL
TTTGAITDSEAAADDGFTTINIAGSTASSTIASLVAADATTLNISGDARV
TITSHTAAALTGITVTNSVGATLGAELATGLVFTGGAGADSILLGATTKA
IVMGAGDDTVTVSSATLGAGGSVNGGDGTDVLVANVNGSSFSADPAFGGF
ETLRVAGAAAQGSHNANGFTALQLGATAGATTFTNVAVNVGLTVLAAPTG
TTTVTLANATGTSDVFNLTLSSSAALAAGTVALAGVETVNIAATDTNTTA
HVDTLTLQATSAKSIVVTGNAGLNLTNTGNTAVTSFDASAVTGTGSAVTF
VSANTTVGEVVTIRGGAGADSLTGSATANDTIIGGAGADTLVYTGGTDTF
TGGTGADIFDINAIGTSTAFVTITDAAVGDKLDLVGISTNGAIADGAFGA
AVTLGAAATLAQYLDAAAAGDGSGTSVAKWFQFGGDTYVVVDSSAGATFV
SGADAVIKLTGLVTLTTSAFATEVLTLA

Ligand information

• Ligand ID: CA
• InChI: InChI=1S/Ca/q+2
• InChIKey: BHPQYMZQTOCNFJ-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Ca++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Ca+2]
• Formula: Ca
• Name: CALCIUM ION
• DrugBank: DB14577
• PDB chain: 5n97 Chain A Residue 9017

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5n97 Structure of the hexagonal surface layer on Caulobacter crescentus cells.
• Resolution: 7.4 Å
• Binding residue (original residue number in PDB): F689 S690 D692 F695
• Binding residue (residue number reindexed from 1): F441 S442 D444 F447
• Annotation score: 4

Gene Ontology

Molecular Function

• GO:0005509 calcium ion binding

External links

• PDB: RCSB:5n97, PDBe:5n97, PDBj:5n97
• PDBsum: 5n97
• PubMed: 28418382
• UniProt: A0A0H3C8J1