Structure of PDB 3fp0 Chain A Binding Site BS01

Receptor Information
>3fp0 Chain A (length=511) Species: 5514 (Fusarium sporotrichioides) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SSSALPPLVPALYRWKSTGSSGRQVQRRCVGAEAIVGLEEKNRRALYDLY
IATSLRNIAPASTLLTLQNLKEMFELALLDARFEHPECACTVSWDDEVPA
IITYESPESNESARDWARGCIHVQPTAKSALDLWSEMEEGRAAANDNTPS
KSIELFLLSDVSTDSTPIPQDATVEILFHSNHLFWDGIGCRKFVGDLFRL
VGSYIGRDSREMKKIQWGQEIKNLSPPVVDSLKLDINTLGSEFDDKCTEY
TSALVANYKSRGMKFQPGLALPRCVIHKLSADESIDIVKAVKTRLGPGFT
ISHLTQAAIVLALLDHLKLSDDEVFISPTSVDGRRWLREDIASNFYAMCQ
TAAVVRIENLKSITVSHKDEKELQVRALESACRNIKKSYRQWLENPFLQA
LGLRVHNFEASYLHAKPIPFEGEANPLFISDGINERFIPHEIKQTATGEN
VLSVESIDFVVNQSLPYLAIRLDSWRDASTLNIIYNDANYTEAEVQKYLQ
SIVEFMLAFRL
Ligand information
Ligand IDGLC
InChIInChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1
InChIKeyWQZGKKKJIJFFOK-DVKNGEFBSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(O1)O)O)O)O)O
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O
CACTVS 3.341OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
CACTVS 3.341OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O
ACDLabs 10.04OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namealpha-D-glucopyranose;
alpha-D-glucose;
D-glucose;
glucose
ChEMBLCHEMBL423707
DrugBank
ZINCZINC000003861213
PDB chain3fp0 Chain B Residue 1 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB3fp0 Structural and functional characterization of TRI3 trichothecene 15-O-acetyltransferase from Fusarium sporotrichioides
Resolution1.9 Å
Binding residue
(original residue number in PDB)		I281 H282 Q508
Binding residue
(residue number reindexed from 1)		I276 H277 Q500
Annotation score4
Enzymatic activity
Enzyme Commision number 2.3.2.-
Gene Ontology
Molecular Function
GO:0016407 acetyltransferase activity
GO:0016740 transferase activity
Biological Process
GO:0043386 mycotoxin biosynthetic process

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Molecular Function
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Biological Process
External links
PDB RCSB:3fp0, PDBe:3fp0, PDBj:3fp0
PDBsum3fp0
PubMed19319932
UniProtQ9C1B7|TRI3_FUSSP Trichothecene 15-O-acetyltransferase TRI3 (Gene Name=TRI3)

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