Structure of PDB 1qgx Chain A Binding Site BS02

Receptor Information
>1qgx Chain A (length=354) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ALERELLVATQAVRKASLLTKRIQSEVISHKDSTTITKNDNSPVTTGDYA
AQTIIINAIKSNFPDDKVVGEESSSGLSDAFVSGILNEIKANDEVYNKNY
KKDDFLFTNDQFPLKSLEDVRQIIDFGNYEGGRKGRFWCLDPIDGTKGFL
RGEQFAVCLALIVDGVVQLGCIGCPNLVLSSYGAQDLKGHESFGYIFRAV
RGLGAFYSPSSDAESWTKIHVRHLKDTKDMITLEGVEKGHSSHDEQTAIK
NKLNISKSLHLDSQAKYCLLALGLADVYLRLPIKLSYQEKIWDHAAGNVI
VHEAGGIHTDAMEDVPLDFGNGRTLATKGVIASSGPRELHDLVVSTSCDV
IQSR
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 chain1qgx Chain A Residue 404 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1qgx X-ray structure of yeast Hal2p, a major target of lithium and sodium toxicity, and identification of framework interactions determining cation sensitivity.
Resolution1.6 Å
Binding residue
(original residue number in PDB)		D142 I144 G146 T147
Binding residue
(residue number reindexed from 1)		D141 I143 G145 T146
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D49 E72 D142 I144 D145 T147 D294
Catalytic site (residue number reindexed from 1) D48 E71 D141 I143 D144 T146 D293
Enzyme Commision number 3.1.3.7: 3'(2'),5'-bisphosphate nucleotidase.
Gene Ontology
Molecular Function
GO:0008441 3'(2'),5'-bisphosphate nucleotidase activity
GO:0016787 hydrolase activity
GO:0016791 phosphatase activity
GO:0046872 metal ion binding
Biological Process
GO:0000103 sulfate assimilation
GO:0006790 sulfur compound metabolic process
GO:0009086 methionine biosynthetic process
GO:0016078 tRNA decay
GO:0042538 hyperosmotic salinity response
GO:0046854 phosphatidylinositol phosphate biosynthetic process
Cellular Component
GO:0005575 cellular_component
GO:0005634 nucleus
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1qgx, PDBe:1qgx, PDBj:1qgx
PDBsum1qgx
PubMed10656801
UniProtP32179|MET22_YEAST 3'(2'),5'-bisphosphate nucleotidase (Gene Name=MET22)

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