Structure of PDB 3mbd Chain A Binding Site BS01

Receptor Information
>3mbd Chain A (length=336) 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
LETWRGDDSNIEEAQKILLETSFKACRGAEGKLWDQ
Ligand information
Ligand IDPO4
InChIInChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
InChIKeyNBIIXXVUZAFLBC-UHFFFAOYSA-K
SMILES
SoftwareSMILES
CACTVS 3.341[O-][P]([O-])([O-])=O
ACDLabs 10.04[O-]P([O-])([O-])=O
OpenEye OEToolkits 1.5.0[O-]P(=O)([O-])[O-]
FormulaO4 P
NamePHOSPHATE ION
ChEMBL
DrugBankDB14523
ZINC
PDB chain3mbd Chain A Residue 339 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3mbd Structure of fructose bisphosphate aldolase from Encephalitozoon cuniculi.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		S263 G264 F293 A294 R295
Binding residue
(residue number reindexed from 1)		S262 G263 F292 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:3mbd, PDBe:3mbd, PDBj:3mbd
PDBsum3mbd
PubMed21904050
UniProtQ8SSM8|ALF_ENCCU Fructose-bisphosphate aldolase (Gene Name=ECU01_0240)

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