Structure of PDB 5llf Chain D Binding Site BS01

Receptor Information

>5llf Chain D (length=266) Species: 177416 (Francisella tularensis subsp. tularensis SCHU S4)

LSQEERQKLFLENIFPYKHKIPRNVYEKQKHYLQIELLKFQKWVKENNKK
VLIIFEGRDAAGKGGTIKRMMEHLNPRGAKVIALEKPSEQERNQWYFQRY
IEHLPSGGEIVLFNRSWYNRAGVERVMGFCTEREYFLFLEQAPQLEKMLV
DSGTMIIKFWFSVSQQEQKNRFAARESHPLKQWKLSPIDKASLDKWDDYT
EAKERMFIYTDKPYAPWVIVKSDDKKRARLNAIRYILNNVDYDNKDHEVA
IPPDPLIVGTSSKIYK

Ligand information

• Ligand ID: 6YW
• InChI: InChI=1S/H8O19P6/c1-20(2,3)15-22(7,8)17-24(11,12)19-25(13,14)18-23(9,10)16-21(4,5)6/h(H,7,8)(H,9,10)(H,11,12)(H,13,14)(H2,1,2,3)(H2,4,5,6)
• InChIKey: LSYVCAOPFHHUHM-UHFFFAOYSA-N
• SMILES:
  OpenEye OEToolkits 2.0.5: OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O
  CACTVS 3.385: O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O
• Formula: H8 O19 P6
• Name: [oxidanyl-[oxidanyl-[oxidanyl(phosphonooxy)phosphoryl]oxy-phosphoryl]oxy-phosphoryl] phosphono hydrogen phosphate
• PDB chain: 5llf Chain D Residue 301

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5llf Substrate recognition and mechanism revealed by ligand-bound polyphosphate kinase 2 structures.
• Resolution: 2.31 Å
• Binding residue (original residue number in PDB): A63 G65 K66 G67 R72 K184 K187 K228 R232
• Binding residue (residue number reindexed from 1): A60 G62 K63 G64 R69 K181 K184 K225 R229
• Annotation score: 1

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

External links

• PDB: RCSB:5llf, PDBe:5llf, PDBj:5llf
• PDBsum: 5llf
• PubMed: 29531036
• UniProt: Q5NEQ5