Structure of PDB 1u0f Chain A Binding Site BS01

Receptor Information

>1u0f Chain A (length=556) Species: 10090 (Mus musculus)

AALTRNPQFQKLLEWHRANSANLKLRELFEADPERFNNFSLNLNTNHGHI
LVDYSKNLVNKEVMQMLVELAKSRGVEAARDNMFSGSKINYTEDRAVLHV
ALRNRSNTPIKVDGKDVMPEVNRVLDKMKSFCQRVRSGDWKGYTGKSITD
IINIGIGGSDLGPLMVTEALKPYSKGGPRVWFVSNIDGTHIAKTLASLSP
ETSLFIIASKTFTTQETITNAETAKEWFLEAAKDPSAVAKHFVALSTNTA
KVKEFGIDPQNMLEFWDWVGGRYSLWSAIGLSIALHVGFDHFEQLLSGAH
WMDQHFLKTPLEKNAPVLLALLGIWYINCYGCETHALLPYDQYMHRFAAY
FQQGDMESNGKYITKSGARVDHQTGPIVWGEPGTNGQHAFYQLIHQGTKM
IPCDFLIPVQTQHPIRKGLHHKILLANFLAQTEALMKGKLPEEARKELQA
AGKSPEDLEKLLPHKVFEGNRPTNSIVFTKLTPFILGALIAMYEHKIFVQ
GIMWDINSFDQWGVELGKQLAKKIEPELEGSSAVTSHDSSTNGLISFIKQ
QRDTKL

Ligand information

• Ligand ID: G6P
• InChI: InChI=1S/C6H13O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5-,6+/m1/s1
• InChIKey: NBSCHQHZLSJFNQ-DVKNGEFBSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)OP(=O)(O)O
  CACTVS 3.341: O[CH]1O[CH](CO[P](O)(O)=O)[CH](O)[CH](O)[CH]1O
  CACTVS 3.341: O[C@H]1O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H](O)[C@H]1O
  OpenEye OEToolkits 1.5.0: C(C1C(C(C(C(O1)O)O)O)O)OP(=O)(O)O
  ACDLabs 10.04: O=P(O)(O)OCC1OC(O)C(O)C(O)C1O
• Formula: C6 H13 O9 P
• Name: 6-O-phosphono-alpha-D-glucopyranose;
  ALPHA-D-GLUCOSE-6-PHOSPHATE;
  6-O-phosphono-alpha-D-glucose;
  6-O-phosphono-D-glucose;
  6-O-phosphono-glucose
• DrugBank: DB02007
• ZINC: ZINC000003875375
• PDB chain: 1u0f Chain A Residue 900

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1u0f 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.
• Resolution: 1.6 Å
• Binding residue (original residue number in PDB): G158 S209 K210 T211 T214 Q353 E357
• Binding residue (residue number reindexed from 1): G158 S209 K210 T211 T214 Q353 E357
• Annotation score: 5

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

External links

• PDB: RCSB:1u0f, PDBe:1u0f, PDBj:1u0f
• PDBsum: 1u0f
• PubMed: 15342241
• UniProt: P06745|G6PI_MOUSE Glucose-6-phosphate isomerase (Gene Name=Gpi)