Structure of PDB 7w10 Chain A Binding Site BS01

Receptor Information
>7w10 Chain A (length=439) Species: 4066 (Calotropis gigantea) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MGTIEISSPSKTHILAFPFPEKGHINPMLHLCNRLASKGFRVTLITTIST
YKDVKNKIINLESIPDGTLGMNGYFNQFKNSVTESVAGIIEEYKLGHDFP
PPKVLIYDSTMPWMLDVAHGHGILGASLFTQPCCVSVVYYHMLQIDFHRE
QSSSSKVLLLPCLPPLEDRDLPEFDYFKEDSGFVSNLLLNQFLNIDKIDY
VLFNTFEMLESEIANWMSNKWKILTIGPTAPTALFETNTEVCMKWLDERE
PNSVIYVSFGSIASLTEQQMEEISQALFTTNFNFLWVVREEERTKLPNNP
SSESFTTAAGKLGLIINWCPQLDVLRHESVACFMTHCGWNSTLEAISSGV
PMICVPQWVDQTTNAKFIQDVWKIGVRVNNGLVKKEEIERCIKEVCESEK
GKELKRNAMKWKDLSKEAVSEGGSSDTNLEYFASTLLFY
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 chain7w10 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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PDB7w10 Functional and Structural Dissection of a Plant Steroid 3-O-Glycosyltransferase Facilitated the Engineering Enhancement of Sugar Donor Promiscuity
Resolution2.15 Å
Binding residue
(original residue number in PDB)		G23 N26 E258 G282 S283 V309 W350 C351 Q353 H368 G370 N372 S373 E376
Binding residue
(residue number reindexed from 1)		G23 N26 E236 G260 S261 V287 W318 C319 Q321 H336 G338 N340 S341 E344
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:7w10, PDBe:7w10, PDBj:7w10
PDBsum7w10
PubMed
UniProtA0A385Z7H9

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