Structure of PDB 4q8r Chain A Binding Site BS01

Receptor Information
>4q8r Chain A (length=241) Species: 1502 (Clostridium perfringens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SVSISGSTSVGPVMEAEAEAFKTKKPDVSIEINQIGSSAGIKNAMEGVSE
IGMASRDLKGEEKQAGLKEVEIAYDGIALITHKNNPVKDLTLVQIKDIYT
GKITNWKELGGNDAPIVVVSREDGSGTRDAFQEIVGFKAEELTVNSQISD
GSGNIKSLVQGNENAIGYISFSYVDDSVSAVKVDGVEATPENVLNKSYKV
SRPFLAVYKEENLTESGKSFIDFILSEEGQDIVAKEHLIKV
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 chain4q8r Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4q8r Crystal structure of the phosphate-binding protein (PBP-1) of an ABC-type phosphate transporter from Clostridium perfringens.
Resolution1.65 Å
Binding residue
(original residue number in PDB)		S11 T12 S13 S41 S59 R125 S129 G130 T131
Binding residue
(residue number reindexed from 1)		S7 T8 S9 S37 S55 R121 S125 G126 T127
Annotation score3
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0042301 phosphate ion binding
GO:0046872 metal ion binding
Biological Process
GO:0006817 phosphate ion transport
Cellular Component
GO:0005886 plasma membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4q8r, PDBe:4q8r, PDBj:4q8r
PDBsum4q8r
PubMed25338617
UniProtA0A0H2YSI2

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