Structure of PDB 3qrh Chain A Binding Site BS01

Receptor Information
>3qrh 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 IDG3H
InChIInChI=1S/C3H7O6P/c4-1-3(5)2-9-10(6,7)8/h1,3,5H,2H2,(H2,6,7,8)/t3-/m0/s1
InChIKeyLXJXRIRHZLFYRP-VKHMYHEASA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0C([C@H](C=O)O)OP(=O)(O)O
OpenEye OEToolkits 1.7.0C(C(C=O)O)OP(=O)(O)O
CACTVS 3.370O[CH](CO[P](O)(O)=O)C=O
ACDLabs 12.01O=P(OCC(O)C=O)(O)O
CACTVS 3.370O[C@H](CO[P](O)(O)=O)C=O
FormulaC3 H7 O6 P
NameGLYCERALDEHYDE-3-PHOSPHATE
ChEMBLCHEMBL1232918
DrugBankDB02263
ZINCZINC000003869936
PDB chain3qrh 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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PDB3qrh Crystal structure of fructose bisphosphate aldolase from Encephalitozoon Cuniculi, bound to glyceraldehyde 3-phosphate
Resolution2.0 Å
Binding residue
(original residue number in PDB)		A26 D28 K138 K221 S263 G264 F293 A294 R295
Binding residue
(residue number reindexed from 1)		A25 D27 K137 K220 S262 G263 F292 A293 R294
Annotation score5
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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Biological Process
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Cellular Component
External links
PDB RCSB:3qrh, PDBe:3qrh, PDBj:3qrh
PDBsum3qrh
PubMed
UniProtQ8SSM8|ALF_ENCCU Fructose-bisphosphate aldolase (Gene Name=ECU01_0240)

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