Structure of PDB 6bk0 Chain A Binding Site BS01

Receptor Information
>6bk0 Chain A (length=443) Species: 39947 (Oryza sativa Japonica Group) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QVLLLPFPAGHTNPMLQFGRRLAYHGLRPTLVTTRYVLSTTPPPGDPFRV
AAISDGFDDASGMAALPDPGEYLRTLEAHGARTLAELLLSEARAGRPARV
LVYDPHLPWARRVARAAGVATAAFLSQPCAVDLIYGEVCARRLALPVTPT
DARGLYARGVLGVELGPDDVPPFVAAPELTPAFCEASIEQFAGLEDDDDV
LVNSFSDLEPKEAAYMESTWRAKTIGPSLPSFYLDDGRLGFNLFRSTVPC
MEWLDKQPPRSVVLVSYGTVSTFDVAKLEELGNGLCNSGKPFLWVVRSNE
EHKLSVQLRKKCEKRGLIVPFCPQLEVLAHKATGCFLSHCGWNSTLEAIV
NGVPLVAMPHWADQPTISKYVESLWGMGVRVQLDKSGILQREEVERCIRE
VMDGDRKEDYRRNATRLMKKAKESMQEGGSSDKNIAEFAAKYS
Ligand information
Ligand IDUDP
InChIInChI=1S/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
InChIKeyXCCTYIAWTASOJW-XVFCMESISA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O
CACTVS 3.370O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(=O)O[P](O)(O)=O)N2C=CC(=O)NC2=O
CACTVS 3.370O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO[P](O)(=O)O[P](O)(O)=O)N2C=CC(=O)NC2=O
OpenEye OEToolkits 1.7.0C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)O)O)O
ACDLabs 12.01O=P(O)(O)OP(=O)(O)OCC2OC(N1C(=O)NC(=O)C=C1)C(O)C2O
FormulaC9 H14 N2 O12 P2
NameURIDINE-5'-DIPHOSPHATE
ChEMBLCHEMBL130266
DrugBankDB03435
ZINCZINC000004490939
PDB chain6bk0 Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6bk0 Determinants and Expansion of Specificity in a Trichothecene UDP-Glucosyltransferase from Oryza sativa.
Resolution1.47 Å
Binding residue
(original residue number in PDB)		H27 T291 F343 C344 Q346 H361 G363 N365 S366 E369
Binding residue
(residue number reindexed from 1)		H11 T269 F321 C322 Q324 H339 G341 N343 S344 E347
Annotation score4
Enzymatic activity
Enzyme Commision number 2.4.1.-
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0008194 UDP-glycosyltransferase activity
GO:0016757 glycosyltransferase activity
GO:0080043 quercetin 3-O-glucosyltransferase activity
GO:0080044 quercetin 7-O-glucosyltransferase activity
Biological Process
GO:0009636 response to toxic substance
GO:0098754 detoxification
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6bk0, PDBe:6bk0, PDBj:6bk0
PDBsum6bk0
PubMed29140092
UniProtQ7XT97|UGT79_ORYSJ UDP-glycosyltransferase 79 (Gene Name=UGT79)

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