Structure of PDB 1u0f Chain A Binding Site BS02

Receptor Information
>1u0f Chain A (length=556) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AALTRNPQFQKLLEWHRANSANLKLRELFEADPERFNNFSLNLNTNHGHI
LVDYSKNLVNKEVMQMLVELAKSRGVEAARDNMFSGSKINYTEDRAVLHV
ALRNRSNTPIKVDGKDVMPEVNRVLDKMKSFCQRVRSGDWKGYTGKSITD
IINIGIGGSDLGPLMVTEALKPYSKGGPRVWFVSNIDGTHIAKTLASLSP
ETSLFIIASKTFTTQETITNAETAKEWFLEAAKDPSAVAKHFVALSTNTA
KVKEFGIDPQNMLEFWDWVGGRYSLWSAIGLSIALHVGFDHFEQLLSGAH
WMDQHFLKTPLEKNAPVLLALLGIWYINCYGCETHALLPYDQYMHRFAAY
FQQGDMESNGKYITKSGARVDHQTGPIVWGEPGTNGQHAFYQLIHQGTKM
IPCDFLIPVQTQHPIRKGLHHKILLANFLAQTEALMKGKLPEEARKELQA
AGKSPEDLEKLLPHKVFEGNRPTNSIVFTKLTPFILGALIAMYEHKIFVQ
GIMWDINSFDQWGVELGKQLAKKIEPELEGSSAVTSHDSSTNGLISFIKQ
QRDTKL
Ligand information
Ligand IDG6Q
InChIInChI=1S/C6H13O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h1,3-6,8-11H,2H2,(H2,12,13,14)/t3-,4+,5+,6+/m0/s1
InChIKeyVFRROHXSMXFLSN-SLPGGIOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=P(O)(O)OCC(O)C(O)C(O)C(O)C=O
OpenEye OEToolkits 1.5.0C(C(C(C(C(C=O)O)O)O)O)OP(=O)(O)O
OpenEye OEToolkits 1.5.0C([C@H]([C@H]([C@@H]([C@H](C=O)O)O)O)O)OP(=O)(O)O
CACTVS 3.341O[CH](CO[P](O)(O)=O)[CH](O)[CH](O)[CH](O)C=O
CACTVS 3.341O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H](O)[C@@H](O)C=O
FormulaC6 H13 O9 P
NameGLUCOSE-6-PHOSPHATE
ChEMBL
DrugBankDB03581
ZINCZINC000019850142
PDB chain1u0f Chain A Residue 901 [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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PDB1u0f The crystal structure of mouse phosphoglucose isomerase at 1.6A resolution and its complex with glucose 6-phosphate reveals the catalytic mechanism of sugar ring opening.
Resolution1.6 Å
Binding residue
(original residue number in PDB)		G158 S209 K210 T211 T214 G271 R272 Q353 E357 Q511
Binding residue
(residue number reindexed from 1)		G158 S209 K210 T211 T214 G271 R272 Q353 E357 Q511
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) K210 E216 G271 R272 E357 H388 K518
Catalytic site (residue number reindexed from 1) K210 E216 G271 R272 E357 H388 K518
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:1u0f, PDBe:1u0f, PDBj:1u0f
PDBsum1u0f
PubMed15342241
UniProtP06745|G6PI_MOUSE Glucose-6-phosphate isomerase (Gene Name=Gpi)

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