Structure of PDB 5llb Chain C Binding Site BS01

Receptor Information
>5llb Chain C (length=240) Species: 177416 (Francisella tularensis subsp. tularensis SCHU S4) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IPRNVYEKQKHYLQIELLKFQKWVKENNKKVLIIFEGRDAAGKGGTIKRM
MEHLNPRGAKVIALEKPSEQERNQWYFQRYIEHLPSGGEIVLFDRSWYNR
AGVERVMGFCTEREYFLFLEQAPQLEKMLVDSGTMIIKFWFSVSQQEQKN
RFAARESHPLKQWKLSPIDKASLDKWDDYTEAKERMFIYTDKPYAPWVIV
KSDDKKRARLNAIRYILNNVDYDNKDHEVAIPPDPLIVGT
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain5llb Chain C Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5llb Substrate recognition and mechanism revealed by ligand-bound polyphosphate kinase 2 structures.
Resolution1.92 Å
Binding residue
(original residue number in PDB)		D62 D192
Binding residue
(residue number reindexed from 1)		D39 D169
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.4.-
Gene Ontology
Molecular Function
GO:0008976 polyphosphate kinase activity
GO:0016301 kinase activity
GO:0046872 metal ion binding
Biological Process
GO:0006793 phosphorus metabolic process
GO:0016310 phosphorylation

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Molecular Function
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Biological Process
External links
PDB RCSB:5llb, PDBe:5llb, PDBj:5llb
PDBsum5llb
PubMed29531036
UniProtQ5NEQ5

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