Structure of PDB 5llf Chain C Binding Site BS03

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 304 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB5llf Substrate recognition and mechanism revealed by ligand-bound polyphosphate kinase 2 structures.
Resolution2.31 Å
Binding residue
(original residue number in PDB)		R26 Y29 K33 R72
Binding residue
(residue number reindexed from 1)		R22 Y25 K29 R68
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

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:5llf, PDBe:5llf, PDBj:5llf
PDBsum5llf
PubMed29531036
UniProtQ5NEQ5

[Back to BioLiP]