Structure of PDB 2cxq Chain A Binding Site BS01

Receptor Information
>2cxq Chain A (length=557) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MAALTRNPQFQKLLEWHRANSANLKLRELFEADPERFNNFSLNLNTNHGH
ILVDYSKNLVSKEVMQMLVELAKSRGVEAARDNMFSGSKINYTEDRAVLH
VALRNRSNTPIKVDGKDVMPEVNRVLDKMKSFCQRVRSGDWKGYTGKSIT
DIINIGIGGSDLGPLMVTEALKPYSKGGPRVWFVSNIDGTHIAKTLASLS
PETSLFIIASKTFTTQETITNAETAKEWFLEAAKDPSAVAKHFVALSTNT
AKVKEFGIDPQNMFEFWDWVGGRYSLWSAIGLSIALHVGFDHFEQLLSGA
HWMDQHFLKTPLEKNAPVLLALLGIWYINCYGCETHALLPYDQYMHRFAA
YFQQGDMESNGKYITKSGARVDHQTGPIVWGEPGTNGQHAFYQLIHQGTK
MIPCDFLIPVQTQHPIRKGLHHKILLANFLAQTEALMKGKLPEEARKELQ
AAGKSPEDLEKLLPHKVFEGNRPTNSIVFTKLTPFILGALIAMYEHKIFV
QGIMWDINSFDQWGVELGKQLAKKIEPELEGSSAVTSHDSSTNGLISFIK
QQRDTKL
Ligand information
Ligand IDS6P
InChIInChI=1S/C6H15O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h3-11H,1-2H2,(H2,12,13,14)/t3-,4+,5+,6+/m0/s1
InChIKeyGACTWZZMVMUKNG-SLPGGIOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=P(O)(O)OCC(O)C(O)C(O)C(O)CO
CACTVS 3.341OC[CH](O)[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O
CACTVS 3.341OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO[P](O)(O)=O
OpenEye OEToolkits 1.5.0C(C(C(C(C(COP(=O)(O)O)O)O)O)O)O
OpenEye OEToolkits 1.5.0C([C@@H]([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O)O
FormulaC6 H15 O9 P
NameD-SORBITOL-6-PHOSPHATE;
1-O-PHOSPHONO-D-GLUCITOL;
D-GLUCITOL-6-PHOSPHATE
ChEMBL
DrugBankDB02548
ZINCZINC000002516111
PDB chain2cxq Chain A Residue 1601 [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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PDB2cxq Crystal structures of mouse autocrine motility factor in complex with carbohydrate phosphate inhibitors provide insight into structure-activity relationship of the inhibitors
Resolution1.5 Å
Binding residue
(original residue number in PDB)		I157 G159 S210 K211 T212 T215 G272 R273 E358 Q512 K519
Binding residue
(residue number reindexed from 1)		I157 G159 S210 K211 T212 T215 G272 R273 E358 Q512 K519
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) K211 E217 G272 R273 E358 H389 K519
Catalytic site (residue number reindexed from 1) K211 E217 G272 R273 E358 H389 K519
Enzyme Commision number 5.3.1.9: glucose-6-phosphate isomerase.
Gene Ontology
Molecular Function
GO:0004347 glucose-6-phosphate isomerase activity
GO:0005125 cytokine activity
GO:0005515 protein binding
GO:0008083 growth factor activity
GO:0016853 isomerase activity
GO:0031625 ubiquitin protein ligase binding
GO:0048029 monosaccharide binding
GO:0097367 carbohydrate derivative binding
Biological Process
GO:0001701 in utero embryonic development
GO:0001707 mesoderm formation
GO:0002639 positive regulation of immunoglobulin production
GO:0006002 fructose 6-phosphate metabolic process
GO:0006094 gluconeogenesis
GO:0006096 glycolytic process
GO:0007165 signal transduction
GO:0007611 learning or memory
GO:0010595 positive regulation of endothelial cell migration
GO:0032355 response to estradiol
GO:0032570 response to progesterone
GO:0033574 response to testosterone
GO:0034101 erythrocyte homeostasis
GO:0035902 response to immobilization stress
GO:0035994 response to muscle stretch
GO:0042593 glucose homeostasis
GO:0043524 negative regulation of neuron apoptotic process
GO:0046686 response to cadmium ion
GO:0051156 glucose 6-phosphate metabolic process
GO:0061620 glycolytic process through glucose-6-phosphate
GO:0061621 canonical glycolysis
GO:0141199 GDP-mannose biosynthetic process from glucose
GO:1901135 carbohydrate derivative metabolic process
Cellular Component
GO:0005576 extracellular region
GO:0005615 extracellular space
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0005886 plasma membrane
GO:0043209 myelin sheath
GO:0060170 ciliary membrane

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:2cxq, PDBe:2cxq, PDBj:2cxq
PDBsum2cxq
PubMed16375918
UniProtP06745|G6PI_MOUSE Glucose-6-phosphate isomerase (Gene Name=Gpi)

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