Structure of PDB 1pc3 Chain A Binding Site BS01

Receptor Information
>1pc3 Chain A (length=333) Species: 83332 (Mycobacterium tuberculosis H37Rv) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VATTPASSPVTLAETGSTLLYPLFNLWGPAFHERYPNVTITAQGTGSGAG
IAQAAAGTVNIGASDAYLSEGDMAAHKGLMNIALAISAQQVNYNLPGVSE
HLKLNGKVLAAMYQGTIKTWDDPQIAALNPGVNLPGTAVVPLHRSDGSGD
TFLFTQYLSKQDPEGWGKSPGFGTTVDFPAVPGALGENGNGGMVTGCAET
PGCVAYIGISFLDQASQRGLGEAQLGNSSGNFLLPDAQSIQAAAAGFASK
TPANQAISMIDGPAPDGYPIINYEYAIVNNRQKDAATAQTLQAFLHWAIT
DGNKASFLDQVHFQPLPPAVVKLSDALIATISS
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 chain1pc3 Chain A Residue 1352 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1pc3 Crystal structure of M tuberculosis ABC phosphate transport receptor: specificity and charge compensation dominated by ion-dipole interactions.
Resolution2.16 Å
Binding residue
(original residue number in PDB)		S35 T36 L37 G64 S65 D83 R162 S166 G167 D168
Binding residue
(residue number reindexed from 1)		S17 T18 L19 G46 S47 D65 R144 S148 G149 D150
Annotation score3
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0042301 phosphate ion binding
Biological Process
GO:0006817 phosphate ion transport
GO:0007155 cell adhesion
GO:0016036 cellular response to phosphate starvation
GO:0035435 phosphate ion transmembrane transport
Cellular Component
GO:0005576 extracellular region
GO:0005829 cytosol
GO:0005886 plasma membrane
GO:0009274 peptidoglycan-based cell wall
GO:0009986 cell surface
GO:0043190 ATP-binding cassette (ABC) transporter complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1pc3, PDBe:1pc3, PDBj:1pc3
PDBsum1pc3
PubMed12842040
UniProtP9WGU1|PSTS1_MYCTU Phosphate-binding protein PstS 1 (Gene Name=pstS1)

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