Structure of PDB 6t72 Chain A Binding Site BS04

Receptor Information
>6t72 Chain A (length=242) Species: 190650 (Caulobacter vibrioides CB15) [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 chain6t72 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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PDB6t72 In Situ Structure of an Intact Lipopolysaccharide-Bound Bacterial Surface Layer.
Resolution3.7 Å
Binding residue
(original residue number in PDB)		S84 N87 D90 D93
Binding residue
(residue number reindexed from 1)		S83 N86 D89 D92
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:6t72, PDBe:6t72, PDBj:6t72
PDBsum6t72
PubMed31883796
UniProtP35828|SLAP_CAUVC S-layer protein (Gene Name=rsaA)

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