Structure of PDB 1ixi Chain A Binding Site BS01

Receptor Information
>1ixi 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
DFGASNAPLSDEKLAQEGLFQFPTVIGGVVLAVNIPGLKSGELVLDGKTL
GDIYLGKIKKWDDEAIAKLNPGLKLPSQNIAVVRRADGSGTSFVFTSYLA
KVNEEWKNNVGTGSTVKWPIGLGGKGNDGIAAFVQRLPGAIGYVEYAYAK
QNNLAYTKLISADGKPVSPTEENFANAAKGADWSKTFAQDLTNQKGEDAW
PITSTTFILIHKDQKKPEQGTEVLKFFDWAYKTGAKQANDLDYASLPDSV
VEQVRAAWKTNIKDSSGKPLY
Ligand information
Ligand ID2HP
InChIInChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-1
InChIKeyNBIIXXVUZAFLBC-UHFFFAOYSA-M
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0OP(=O)(O)[O-]
ACDLabs 10.04[O-]P(=O)(O)O
CACTVS 3.341O[P](O)([O-])=O
FormulaH2 O4 P
NameDIHYDROGENPHOSPHATE ION
ChEMBL
DrugBankDB02831
ZINC
PDB chain1ixi 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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PDB1ixi A low energy short hydrogen bond in very high resolution structures of protein receptor--phosphate complexes.
Resolution1.89 Å
Binding residue
(original residue number in PDB)		A9 T10 F11 G37 S38 N56 R135 S139 G140 T141
Binding residue
(residue number reindexed from 1)		A9 T10 F11 G37 S38 N56 R135 S139 G140 T141
Annotation score4
Binding affinityMOAD: Kd=0.36uM
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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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1ixi, PDBe:1ixi, PDBj:1ixi
PDBsum1ixi
PubMed9228942
UniProtP0AG82|PSTS_ECOLI Phosphate-binding protein PstS (Gene Name=pstS)

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