Structure of PDB 7peo Chain A Binding Site BS05

Receptor Information
>7peo Chain A (length=242) Species: 155892 (Caulobacter vibrioides) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AYTTAQLVTAYTNANLGKAPDAATTLTLDAYATQTQTGGLSDAAALTNTL
KLVNSTTAVAIQTYQFFTGVAPSAAGLDFLVDSTTNTNDLNDAYYSKFAQ
ENRFINFSINLATGAGAGATAFAAAYTGVSYAQTVATAYDKIIGNAVATA
AGVDVAAAVAFLSRQANIDYLTAFVRANTPFTAAADIDLAVKAALIGTIL
NAATVSGIGGYATATAAMINDLSDGALSTDNAAGVNLFTAYP
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 chain7peo Chain A Residue 301 [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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PDB7peo High-resolution mapping of metal ions reveals principles of surface layer assembly in Caulobacter crescentus cells.
Resolution4.37 Å
Binding residue
(original residue number in PDB)		S84 N87 T88 D90 D93
Binding residue
(residue number reindexed from 1)		S83 N86 T87 D89 D92
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:7peo, PDBe:7peo, PDBj:7peo
PDBsum7peo
PubMed34800371
UniProtP35828|SLAP_CAUVC S-layer protein (Gene Name=rsaA)

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