Structure of PDB 3mbf Chain A Binding Site BS01

Receptor Information
>3mbf Chain A (length=337) Species: 6035 (Encephalitozoon cuniculi) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MDCDHLLRLGMTAKKILENGKGILAADETPKTLGRRFEKLGITNTEENRR
KFREILFSTKGIERYIGGVILNQETFEQTSGSGVPLTELLKKKGIEIGIK
LDKGLIDYKEKEKISVGLEDLDLRCKSSAFKDATFAKWRSLFYFYDGIPS
EDCINENCSILAKYAIICQKNGLVPIVEPEVFLEGDYSMKRSYEVTRQIL
STLMKYLNYELVYIPGVLIKASYVTSGQLSNEKYTPKKVATFTLRALLST
IPCGIPGIVFLSGGHGSEDAIGFLNAINMERGCRTWSLSFSFARALTDGV
LETWRGDDSNIEEAQKILLETSFKACRGAEGKLWDQE
Ligand information
Ligand ID2FP
InChIInChI=1S/C6H14O12P2/c7-3(1-17-19(11,12)13)5(9)6(10)4(8)2-18-20(14,15)16/h3,5-7,9-10H,1-2H2,(H2,11,12,13)(H2,14,15,16)/t3-,5+,6+/m1/s1
InChIKeyXPYBSIWDXQFNMH-PYWDMBMJSA-N
SMILES
SoftwareSMILES
CACTVS 3.370O[C@H](CO[P](O)(O)=O)[C@H](O)[C@@H](O)C(=O)CO[P](O)(O)=O
OpenEye OEToolkits 1.7.0C(C(C(C(C(=O)COP(=O)(O)O)O)O)O)OP(=O)(O)O
ACDLabs 12.01O=P(OCC(O)C(O)C(O)C(=O)COP(=O)(O)O)(O)O
CACTVS 3.370O[CH](CO[P](O)(O)=O)[CH](O)[CH](O)C(=O)CO[P](O)(O)=O
OpenEye OEToolkits 1.7.0C([C@H]([C@@H]([C@H](C(=O)COP(=O)(O)O)O)O)O)OP(=O)(O)O
FormulaC6 H14 O12 P2
Name1,6-FRUCTOSE DIPHOSPHATE (LINEAR FORM)
ChEMBL
DrugBank
ZINCZINC000012502216
PDB chain3mbf Chain A Residue 345 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3mbf Structure of fructose bisphosphate aldolase from Encephalitozoon cuniculi.
Resolution2.37 Å
Binding residue
(original residue number in PDB)		A26 D28 E29 T30 T33 K101 K138 E179 K221 S263 G264 A294 R295
Binding residue
(residue number reindexed from 1)		A25 D27 E28 T29 T32 K100 K137 E178 K220 S262 G263 A293 R294
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D28 K138 E179 E181 K221 S292
Catalytic site (residue number reindexed from 1) D27 K137 E178 E180 K220 S291
Enzyme Commision number 4.1.2.13: fructose-bisphosphate aldolase.
Gene Ontology
Molecular Function
GO:0004332 fructose-bisphosphate aldolase activity
GO:0016829 lyase activity
Biological Process
GO:0006096 glycolytic process
GO:0030388 fructose 1,6-bisphosphate metabolic process
Cellular Component
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3mbf, PDBe:3mbf, PDBj:3mbf
PDBsum3mbf
PubMed21904050
UniProtQ8SSM8|ALF_ENCCU Fructose-bisphosphate aldolase (Gene Name=ECU01_0240)

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