Structure of PDB 9f17 Chain B Binding Site BS01

Receptor Information
>9f17 Chain B (length=413) Species: 85962 (Helicobacter pylori 26695) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SHMADVVVGIQWGDEGKGKIVDRIAKDYDFVVRYQGGHNAGHTIVHKGVK
HSLHLMPSGVLYPKCKNIISSAVVVSVKDLCEEISAFEDLENRLFVSDRA
HVILPYHAKKDAFKEKSQNIGTTKKGIGPCYEDKMARSGIRMGDLLDDKI
LEEKLNAHFKAIEPFKKAYDLGENYEKDLMGYFKTYAPKICPFIKDTTSM
LIEANQKGEKILLEGAQGTLLDIDLGTYPFVTSSNTTSASACVSTGLNPK
AINEVIGITKAYSTRVGNGPFPSEDTTPMGDHLRTKGAEFGTTTKRPRRC
GWLDLVALKYACALNGCTQLALMKLDVLDGIDAIKVCVAYERKGERLEIF
PSDLKDCVPIYQTFKGWEKSVGVRKLDDLEPNVREYIRFIEKEVGVKIRL
ISTSPEREDTIFL
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 chain9f17 Chain B Residue 501 [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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PDB9f17 Location Is Everything: Influence of His-Tag Fusion Site on Properties of Adenylosuccinate Synthetase from Helicobacter pylori.
Resolution1.7 Å
Binding residue
(original residue number in PDB)		D12 G39
Binding residue
(residue number reindexed from 1)		D14 G41
Annotation score1
External links
PDB RCSB:9f17, PDBe:9f17, PDBj:9f17
PDBsum9f17
PubMed39062851
UniProtP56137|PURA_HELPY Adenylosuccinate synthetase (Gene Name=purA)

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