Structure of PDB 6b63 Chain A Binding Site BS01

Receptor Information
>6b63 Chain A (length=252) Species: 224325 (Archaeoglobus fulgidus DSM 4304) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MDERDALRISREIAGEVRKAIASMPLRERVKDVGMGKDGTPTKAADRVAE
DAALEILRKERVTVVTEESGVLGEGDVFVALDPLDGTFNATRGIPVYSVS
LCFSYSDKLKDAFFGYVYNLATGDEYYADSSGAYRNGERIEVSDAEELYC
NAIIYYPDRKFPFKRMRIFGSAATELCFFADGSFDCFLDIRPGKMLRIYD
AAAGVFIAEKAGGKVTELDGESLGNKKFDMQERLNIVAANEKLHPKLLEL
IK
Ligand information
Ligand IDCU7
InChIInChI=1S/C6H15O8P/c7-1-5(9)3-13-15(11,12)14-4-6(10)2-8/h5-10H,1-4H2,(H,11,12)/t5-,6+
InChIKeyLLCSXHMJULHSJN-OLQVQODUSA-N
SMILES
SoftwareSMILES
CACTVS 3.385OC[C@H](O)CO[P](O)(=O)OC[C@H](O)CO
ACDLabs 12.01C(C(COP(OCC(CO)O)(O)=O)O)O
CACTVS 3.385OC[CH](O)CO[P](O)(=O)OC[CH](O)CO
OpenEye OEToolkits 2.0.6C(C(COP(=O)(O)OCC(CO)O)O)O
OpenEye OEToolkits 2.0.6C([C@H](COP(=O)(O)OC[C@H](CO)O)O)O
FormulaC6 H15 O8 P
Name(2R)-2,3-dihydroxypropyl (2S)-2,3-dihydroxypropyl hydrogen phosphate
ChEMBL
DrugBank
ZINC
PDB chain6b63 Chain A Residue 501 [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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PDB6b63 Osmolyte binding capacity of a dual action IMPase/FBPase (AF2372)
Resolution2.696 Å
Binding residue
(original residue number in PDB)		K43 R92
Binding residue
(residue number reindexed from 1)		K43 R92
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) E67 D82 L84 D85 T87 D200
Catalytic site (residue number reindexed from 1) E67 D82 L84 D85 T87 D200
Enzyme Commision number 3.1.3.11: fructose-bisphosphatase.
3.1.3.25: inositol-phosphate phosphatase.
Gene Ontology
Molecular Function
GO:0008934 inositol monophosphate 1-phosphatase activity
GO:0016787 hydrolase activity
GO:0042132 fructose 1,6-bisphosphate 1-phosphatase activity
GO:0046872 metal ion binding
GO:0052832 inositol monophosphate 3-phosphatase activity
GO:0052833 inositol monophosphate 4-phosphatase activity
GO:0052834 inositol monophosphate phosphatase activity
Biological Process
GO:0006020 inositol metabolic process
GO:0007165 signal transduction
GO:0046854 phosphatidylinositol phosphate biosynthetic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:6b63, PDBe:6b63, PDBj:6b63
PDBsum6b63
PubMed
UniProtO30298|BSUHB_ARCFU Fructose-1,6-bisphosphatase/inositol-1-monophosphatase (Gene Name=suhB)

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