Structure of PDB 4lvq Chain A Binding Site BS01

Receptor Information
>4lvq Chain A (length=319) Species: 1773 (Mycobacterium tuberculosis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TLKASGSTAQANAMTRFVNVFEQACPGQTLNYTANGSGAGISEFNGNQTD
FGGSDVPLSKDEAAAAQRRCGSPAWNLPVVFGPIAVTYNLNSVSSLNLDG
PTLAKIFNGSITQWNNPAIQALNRDFTLPGERIHVVFRSDESGTTDNFQR
YLQAASNGAWGKGAGKSFQGGVGEGARGNDGTSAAAKNTPGSITYNEWSF
AQAQHLTMANIVTSAGGDPVAITIDSVGQTIAGATISGVGNDLVLDTDSF
YRPKRPGSYPIVLATYEIVCSKYPDSQVGTAVKAFLQSTIGAGQSGLGDN
GYIPIPDEFKSRLSTAVNA
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 chain4lvq Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB4lvq Crystal structure of the Mycobacterium tuberculosis phosphate binding protein PstS3.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		S56 T57 A58 S86 D104 R187 S191 G192 T193
Binding residue
(residue number reindexed from 1)		S7 T8 A9 S37 D55 R138 S142 G143 T144
Annotation score3
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0042301 phosphate ion binding
Biological Process
GO:0035435 phosphate ion transmembrane transport
Cellular Component
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:4lvq, PDBe:4lvq, PDBj:4lvq
PDBsum4lvq
PubMed24615888
UniProtP9WGT7|PSTS3_MYCTU Phosphate-binding protein PstS 3 (Gene Name=pstS3)

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