Structure of PDB 1qui Chain A Binding Site BS01

Receptor Information
>1qui Chain A (length=321) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EASLTGAGATFPAPVYAKWADTYQKETGNKVNYQGIGSSGGVKQIIANTV
DFGASDAPLSDEKLAQEGLFQFPTVIGGVVLAVNIPGLKSGELVLDGKTL
GDIYLGKIKKWDDEAIAKLNPGLKLPSQNIAVVRRAGGSGTSFVFTSYLA
KVNEEWKNNVGTGSTVKWPIGLGGKGNDGIAAFVQRLPGAIGYVEYAYAK
QNNLAYTKLISADGKPVSPTEENFANAAKGADWSKTFAQDLTNQKGEDAW
PITSTTFILIHKDQKKPEQGTEVLKFFDWAYKTGAKQANDLDYASLPDSV
VEQVRAAWKTNIKDSSGKPLY
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 chain1qui Chain A Residue 322 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1qui Modulation of a salt link does not affect binding of phosphate to its specific active transport receptor.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		A9 T10 F11 S38 D56 R135 S139 G140 T141
Binding residue
(residue number reindexed from 1)		A9 T10 F11 S38 D56 R135 S139 G140 T141
Annotation score3
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0042301 phosphate ion binding
Biological Process
GO:0006817 phosphate ion transport
GO:0006974 DNA damage response
GO:0009314 response to radiation
GO:0035435 phosphate ion transmembrane transport
Cellular Component
GO:0016020 membrane
GO:0030288 outer membrane-bounded periplasmic space
GO:0042597 periplasmic space
GO:0043190 ATP-binding cassette (ABC) transporter complex
GO:0055052 ATP-binding cassette (ABC) transporter complex, substrate-binding subunit-containing

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Cellular Component
External links
PDB RCSB:1qui, PDBe:1qui, PDBj:1qui
PDBsum1qui
PubMed8652549
UniProtP0AG82|PSTS_ECOLI Phosphate-binding protein PstS (Gene Name=pstS)

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