Structure of PDB 7w0k Chain A Binding Site BS01

Receptor Information
>7w0k Chain A (length=457) Species: 4066 (Calotropis gigantea) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SHMGTIEISSPSKTHILAFPFPEKGHINPMLHLCNRLASKGFRVTLITTI
STYKDVKNKIKCGLINLESIPDGTDKNLGMNGYFNQFKNSVTESVAGIIE
EYKLGHDFPPPKVLIYDSTMPWMLDVAHGHGILGASLFTQPCCVSVVYYH
MLQGTIDFHREQSSSSKVLLLPCLPPLEDRDLPEFDYFKEDSGFVSNLLL
NQFLNIDKIDYVLFNTFEMLESEIANWMSNKWKILTIGPTAPTANYLFET
NTEVCMKWLDEREPNSVIYVSFGSIASLTEQQMEEISQALFTTNFNFLWV
VREEERTKLPNNNNPSSESFTTAAGKLGLIINWCPQLDVLRHESVACFMT
HCGWNSTLEAISSGVPMICVPQWVDQTTNAKFIQDVWKIGVRVNNNGGGL
VKKEEIERCIKEVCESEKGKELKRNAMKWKDLSKEAVSEGGSSDTNLEYF
ASTLLFY
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 chain7w0k 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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PDB7w0k Functional and Structural Dissection of a Plant Steroid 3-O-Glycosyltransferase Facilitated the Engineering Enhancement of Sugar Donor Promiscuity
Resolution2.04 Å
Binding residue
(original residue number in PDB)		G23 N26 E258 S283 V309 W350 C351 Q353 H368 G370 N372 S373 E376
Binding residue
(residue number reindexed from 1)		G25 N28 E249 S274 V300 W333 C334 Q336 H351 G353 N355 S356 E359
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

View graph for
Molecular Function
External links
PDB RCSB:7w0k, PDBe:7w0k, PDBj:7w0k
PDBsum7w0k
PubMed
UniProtA0A385Z7H9

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