Structure of PDB 1a40 Chain A Binding Site BS01
Receptor Information
>1a40 Chain A (length=321) Species:
562
(Escherichia coli) [
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EASLTGAGATFPAPVYAKWADTYQKETGNKVNYQGIGSSGGVKQIIANTV
DFGASDAPLSDEKLAQEGLFQFPTVIGGVVLAVNIPGLKSGELVLDGKTL
GDIYLGKIKKWDDEAIAKLNPGLKLPSQNIAVVRRADGSGTSFVFTSYLA
KVNEEWKNNVGTGSTVKWPIGLGGKGNDGIAAFVQRLPGAIGYVEYWYAK
QNNLAYTKLISADGKPVSPTEENFANAAKGADWSKTFAQDLTNQKGEDAW
PITSTTFILIHKDQKKPEQGTEVLKFFDWAYKTGAKQANDLDYASLPDSV
VEQVRAAWKTNIKDSSGKPLY
Ligand information
Ligand ID
PO4
InChI
InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
InChIKey
NBIIXXVUZAFLBC-UHFFFAOYSA-K
SMILES
Software
SMILES
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-]
Formula
O4 P
Name
PHOSPHATE ION
ChEMBL
DrugBank
DB14523
ZINC
PDB chain
1a40 Chain A Residue 322 [
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Receptor-Ligand Complex Structure
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PDB
1a40
Dominant role of local dipolar interactions in phosphate binding to a receptor cleft with an electronegative charge surface: equilibrium, kinetic, and crystallographic studies.
Resolution
1.7 Å
Binding residue
(original residue number in PDB)
A9 T10 F11 G37 S38 D56 R135 S139 G140 T141
Binding residue
(residue number reindexed from 1)
A9 T10 F11 G37 S38 D56 R135 S139 G140 T141
Annotation score
3
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:1a40
,
PDBe:1a40
,
PDBj:1a40
PDBsum
1a40
PubMed
9865949
UniProt
P0AG82
|PSTS_ECOLI Phosphate-binding protein PstS (Gene Name=pstS)
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