Structure of PDB 8jkr Chain A Binding Site BS03

Receptor Information
>8jkr Chain A (length=193) Species: 170187 (Streptococcus pneumoniae TIGR4) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SYQDYINCSREALLEKMAELLPEKRLTHCLGVERAAMELAQRFGVDVEKA
SLAGLLHDYAKKLSDQEFLVLIDRYQLDPDLKNWGNNVWHGMVGIYKIQE
DLDLHDSEILRAIEIHTVGAGQMTDLDKVIYVADYIEHNRAFPGVDVARE
IASLSLNKAVAYETARTVEYLAHQGFPIYPQTLETYNAFVHYL
Ligand information
Ligand IDFE
InChIInChI=1S/Fe/q+3
InChIKeyVTLYFUHAOXGGBS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341
OpenEye OEToolkits 1.5.0		[Fe+3]
FormulaFe
NameFE (III) ION
ChEMBL
DrugBankDB13949
ZINC
PDB chain8jkr Chain A Residue 308 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8jkr Structural and biochemical characterization of a nucleotide hydrolase from Streptococcus pneumonia.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		H29 H58 D59 D135
Binding residue
(residue number reindexed from 1)		H28 H57 D58 D134
Annotation score1
Enzymatic activity
Enzyme Commision number 3.6.1.41: bis(5'-nucleosyl)-tetraphosphatase (symmetrical).
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0005515 protein binding
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:8jkr, PDBe:8jkr, PDBj:8jkr
PDBsum8jkr
PubMed38701795
UniProtA0A0H2URF8

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