Structure of PDB 8sx0 Chain B Binding Site BS01

Receptor Information
>8sx0 Chain B (length=96) Species: 520 (Bordetella pertussis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GRHVVQQQVQVLQRQASDINNTKSLPGGKLPKPVTVKLTDENGKPQTYTI
NRREDLMKLNGKVLSTKTTLGLEQTFRLRVEDIGGKNYRVFYETNK
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 chain8sx0 Chain B Residue 203 [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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PDB8sx0 Bordetella filamentous hemagglutinin (FhaB) C-terminal domain
Resolution1.65 Å
Binding residue
(original residue number in PDB)		S3638 R3667
Binding residue
(residue number reindexed from 1)		S24 R53
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:8sx0, PDBe:8sx0, PDBj:8sx0
PDBsum8sx0
PubMed
UniProtP12255|FHAB_BORPE Filamentous hemagglutinin (Gene Name=fhaB)

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