Structure of PDB 5tmd Chain A Binding Site BS01

Receptor Information
>5tmd Chain A (length=440) Species: 39947 (Oryza sativa Japonica Group) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QVLLLPFPAAQGHTNPMLQFGRRLAYHGLRPTLVTTRYVLSTTPPPGDPF
RVAAISDGFDDASGMAALPDPGEYLRTLEAHGARTLAELLLSEARAGRPA
RVLVYDPHLPWARRVARAAGVATAAFLSQPCAVDLIYGEVCARRLALPVT
PTDARGLYARGVLGVELGPDDVPPFVAAPELTPAFCEQSIEQFAGLEDDD
DVLVNSFSDLEPKEAAYMESTWRAKTIGPSLPSFYLDDGRFRSTVPCMEW
LDKQPPRSVVLVSYGTVSTFDVAKLEELGNGLCNSGKPFLWVVRSNEEHK
LSVQLRKKCEKRGLIVPFCPQLEVLAHKATGCFLSHCGWNSTLEAIVNGV
PLVAMPHWADQPTISKYVESLWGMGVRVQLDKSGILQREEVERCIREVMD
GDRKEDYRRNATRLMKKAKESMQEGGSSDKNIAEFAAKYS
Ligand information
Ligand IDU2F
InChIInChI=1S/C15H23FN2O16P2/c16-8-11(23)9(21)5(3-19)32-14(8)33-36(28,29)34-35(26,27)30-4-6-10(22)12(24)13(31-6)18-2-1-7(20)17-15(18)25/h1-2,5-6,8-14,19,21-24H,3-4H2,(H,26,27)(H,28,29)(H,17,20,25)/t5-,6-,8-,9-,10-,11-,12-,13-,14-/m1/s1
InChIKeyNGTCPFGWXMBZEP-NQQHDEILSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=P(OC1OC(C(O)C(O)C1F)CO)(O)OP(=O)(O)OCC3OC(N2C=CC(=O)NC2=O)C(O)C3O
OpenEye OEToolkits 1.5.0C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OC3C(C(C(C(O3)CO)O)O)F)O)O
CACTVS 3.341OC[C@H]1O[C@H](O[P@](O)(=O)O[P@@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N3C=CC(=O)NC3=O)[C@H](F)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 1.5.0C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)F)O)O
CACTVS 3.341OC[CH]1O[CH](O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)N3C=CC(=O)NC3=O)[CH](F)[CH](O)[CH]1O
FormulaC15 H23 F N2 O16 P2
NameURIDINE-5'-DIPHOSPHATE-2-DEOXY-2-FLUORO-ALPHA-D-GLUCOSE
ChEMBLCHEMBL593830
DrugBankDB03488
ZINCZINC000016051573
PDB chain5tmd Chain A Residue 501 [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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PDB5tmd Crystal Structure of Os79 (Os04g0206600) from Oryza sativa: A UDP-glucosyltransferase Involved in the Detoxification of Deoxynivalenol.
Resolution2.19 Å
Binding residue
(original residue number in PDB)		G26 H27 Q143 F343 C344 Q346 H361 G363 W364 N365 S366 E369 D385 Q386
Binding residue
(residue number reindexed from 1)		G12 H13 Q129 F318 C319 Q321 H336 G338 W339 N340 S341 E344 D360 Q361
Annotation score1
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:5tmd, PDBe:5tmd, PDBj:5tmd
PDBsum5tmd
PubMed27715009
UniProtQ7XT97|UGT79_ORYSJ UDP-glycosyltransferase 79 (Gene Name=UGT79)

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