Structure of PDB 1lby Chain B Binding Site BS01

Receptor Information
>1lby Chain B (length=252) Species: 2234 (Archaeoglobus fulgidus) [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 IDF6P
InChIInChI=1S/C6H13O9P/c7-2-6(10)5(9)4(8)3(15-6)1-14-16(11,12)13/h3-5,7-10H,1-2H2,(H2,11,12,13)/t3-,4-,5+,6-/m1/s1
InChIKeyBGWGXPAPYGQALX-ARQDHWQXSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=P(O)(O)OCC1OC(O)(CO)C(O)C1O
OpenEye OEToolkits 1.5.0C(C1C(C(C(O1)(CO)O)O)O)OP(=O)(O)O
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)OP(=O)(O)O
CACTVS 3.341OC[C]1(O)O[CH](CO[P](O)(O)=O)[CH](O)[CH]1O
CACTVS 3.341OC[C@@]1(O)O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@@H]1O
FormulaC6 H13 O9 P
Name6-O-phosphono-beta-D-fructofuranose;
FRUCTOSE-6-PHOSPHATE;
6-O-phosphono-beta-D-fructose;
6-O-phosphono-D-fructose;
6-O-phosphono-fructose
ChEMBLCHEMBL604196
DrugBank
ZINCZINC000004096690
PDB chain1lby Chain B Residue 595 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1lby Crystal structure of a dual activity IMPase/FBPase (AF2372) from Archaeoglobus fulgidus. The story of a mobile loop.
Resolution2.25 Å
Binding residue
(original residue number in PDB)
D385 Y455 Y456 G470 S471 A472 R491 D500
Binding residue
(residue number reindexed from 1)
D85 Y155 Y156 G170 S171 A172 R191 D200
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) E367 D382 L384 D385 T387 D500
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:1lby, PDBe:1lby, PDBj:1lby
PDBsum1lby
PubMed11940584
UniProtO30298|BSUHB_ARCFU Fructose-1,6-bisphosphatase/inositol-1-monophosphatase (Gene Name=suhB)

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