Structure of PDB 5llf Chain C Binding Site BS02

Receptor Information
>5llf Chain C (length=264) 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]
SQEERQKLFLENIFPYKHKIPRNVYEKQKHYLQIELLKFQKWVKENNKKV
LIIFEGRDAAGKGGTIKRMMEHLNPRGAKVIALEKPSEQERNQWYFQRYI
EHLPSGGEIVLFNRSWYNRAGVERVMGFCTEREYFLFLEQAPQLEKMLVD
SGTMIIKFWFSVSQQEQKNRFAARESHPLKQWKLSPIDKASLDKWDDYTE
AKERMFIYTDKPYAPWVIVKSDDKKRARLNAIRYILNNVDYDNKDHEVAI
PPDPLIVGTSSKIY
Ligand information
Ligand IDPO4
InChIInChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
InChIKeyNBIIXXVUZAFLBC-UHFFFAOYSA-K
SMILES
SoftwareSMILES
CACTVS 3.341[O-][P]([O-])([O-])=O
ACDLabs 10.04[O-]P([O-])([O-])=O
OpenEye OEToolkits 1.5.0[O-]P(=O)([O-])[O-]
FormulaO4 P
NamePHOSPHATE ION
ChEMBL
DrugBankDB14523
ZINC
PDB chain5llf Chain C Residue 303 [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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PDB5llf Substrate recognition and mechanism revealed by ligand-bound polyphosphate kinase 2 structures.
Resolution2.31 Å
Binding residue
(original residue number in PDB)		N16 R61 W163 S165 V166 K206
Binding residue
(residue number reindexed from 1)		N12 R57 W159 S161 V162 K202
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:5llf, PDBe:5llf, PDBj:5llf
PDBsum5llf
PubMed29531036
UniProtQ5NEQ5

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