Structure of PDB 7w11 Chain A Binding Site BS01

Receptor Information
>7w11 Chain A (length=435) Species: 4066 (Calotropis gigantea) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MGTIEISSPSKTHILAFPFPEKGHINPMLHLCNRLASKGFRVTLITTIST
YKDVKNLINLESIPDGTDKGMNGYFNQFKNSVTESVAGIIEEYKLGHDFP
PPKVLIYDSTMPWMLDVAHGHGILGASLFTQPCCVSVVYYHMLQGTIDFS
SSKVLLLPCLPPLEDRDLPEFDYFKEDSGFVSNLLLNQFLNIDKIDYVLF
NTFEMLESEIANWMSNKWKILTIGPTAPTAETNTEVCMKWLDEREPNSVI
YVSFGSIASLTEQQMEEISQALFTTNFNFLWVVREEERTKLPNCLPSSES
FTTAAGKLGLIINWCPQLDVLRHESVACFMTHCGWNSTLEAISSGVPMIC
VPQWVDQTTNAKFIQDVWKIGVRVNNGLVKKEEIERCIKEVCESEKGKEL
KRNAMKWKDLSKEAVSEGGSSDTNLEYFASTLLFY
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 chain7w11 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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PDB7w11 Functional and Structural Dissection of a Plant Steroid 3-O-Glycosyltransferase Facilitated the Engineering Enhancement of Sugar Donor Promiscuity
Resolution2.45 Å
Binding residue
(original residue number in PDB)		E21 G23 N26 S283 V309 W350 C351 Q353 H368 G370 N372 S373 E376
Binding residue
(residue number reindexed from 1)		E21 G23 N26 S256 V282 W314 C315 Q317 H332 G334 N336 S337 E340
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:7w11, PDBe:7w11, PDBj:7w11
PDBsum7w11
PubMed
UniProtA0A385Z7H9

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