Structure of PDB 2cxs Chain A Binding Site BS01

Receptor Information

>2cxs Chain A (length=557) Species: 10090 (Mus musculus)

MAALTRNPQFQKLLEWHRANSANLKLRELFEADPERFNNFSLNLNTNHGH
ILVDYSKNLVSKEVMQMLVELAKSRGVEAARDNMFSGSKINYTEDRAVLH
VALRNRSNTPIKVDGKDVMPEVNRVLDKMKSFCQRVRSGDWKGYTGKSIT
DIINIGIGGSDLGPLMVTEALKPYSKGGPRVWFVSNIDGTHIAKTLASLS
PETSLFIIASKTFTTQETITNAETAKEWFLEAAKDPSAVAKHFVALSTNT
AKVKEFGIDPQNMFEFWDWVGGRYSLWSAIGLSIALHVGFDHFEQLLSGA
HWMDQHFLKTPLEKNAPVLLALLGIWYINCYGCETHALLPYDQYMHRFAA
YFQQGDMESNGKYITKSGARVDHQTGPIVWGEPGTNGQHAFYQLIHQGTK
MIPCDFLIPVQTQHPIRKGLHHKILLANFLAQTEALMKGKLPEEARKELQ
AAGKSPEDLEKLLPHKVFEGNRPTNSIVFTKLTPFILGALIAMYEHKIFV
QGIMWDINSFDQWGVELGKQLAKKIEPELEGSSAVTSHDSSTNGLISFIK
QQRDTKL

Ligand information

• Ligand ID: F6P
• InChI: InChI=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
• InChIKey: BGWGXPAPYGQALX-ARQDHWQXSA-N
• SMILES:
  ACDLabs 10.04: O=P(O)(O)OCC1OC(O)(CO)C(O)C1O
  OpenEye OEToolkits 1.5.0: C(C1C(C(C(O1)(CO)O)O)O)OP(=O)(O)O
  OpenEye OEToolkits 1.5.0: C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)OP(=O)(O)O
  CACTVS 3.341: OC[C]1(O)O[CH](CO[P](O)(O)=O)[CH](O)[CH]1O
  CACTVS 3.341: OC[C@@]1(O)O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@@H]1O
• Formula: C6 H13 O9 P
• Name: 6-O-phosphono-beta-D-fructofuranose;
  FRUCTOSE-6-PHOSPHATE;
  6-O-phosphono-beta-D-fructose;
  6-O-phosphono-D-fructose;
  6-O-phosphono-fructose
• ChEMBL: CHEMBL604196
• ZINC: ZINC000004096690
• PDB chain: 2cxs Chain A Residue 1601

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2cxs Crystal structures of mouse autocrine motility factor in complex with carbohydrate phosphate inhibitors provide insight into structure-activity relationship of the inhibitors
• Resolution: 1.5 Å
• Binding residue (original residue number in PDB): I157 G159 S210 K211 T212 T215 Q354 E358 V515
• Binding residue (residue number reindexed from 1): I157 G159 S210 K211 T212 T215 Q354 E358 V515
• Annotation score: 5

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

External links

• PDB: RCSB:2cxs, PDBe:2cxs, PDBj:2cxs
• PDBsum: 2cxs
• PubMed: 16375918
• UniProt: P06745|G6PI_MOUSE Glucose-6-phosphate isomerase (Gene Name=Gpi)