Structure of PDB 7es1 Chain A Binding Site BS02

Receptor Information
>7es1 Chain A (length=408) Species: 39947 (Oryza sativa Japonica Group) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MHVVICPWLAFGHLLPCLDLAQRLASRGHRVSFVSTPRNISRLPPVRPAL
APLVAFVALPLPRVEGLPDGAESTNDVPHDRPDMVELHRRAFDGLAAPFS
EFLGTACADWVIVDVFHHWAAAAALEHKVPCAMMLLGSAHMIASIADMSL
AERFSLTLSRSSLVVGRSCVEFEPETVPLLSTLRGKPITFLGLMPPLHEG
RREDGEDATVRWLDAQPAKSVVYVALGSEVPLGVEKVHELALGLELAGTR
FLWALRKPTGVSDADLLPAGFEERTRGRGVVATRWVPQMSILAHAAVGAF
LTHCGWNSTIEGLMFGHPLIMLPIFGDQGPNARLIEAKNAGLQVARNDGD
GSFDREGVAAAIRAVAVEEESSKVFQAKAKKLQEIVADMACHERYIDGFI
QQLRSYKD
Ligand information
Ligand IDJDF
InChIInChI=1S/C26H40O8/c1-14-11-25-9-5-16-23(2,17(25)6-10-26(14,32)13-25)7-4-8-24(16,3)22(31)34-21-20(30)19(29)18(28)15(12-27)33-21/h15-21,27-30,32H,1,4-13H2,2-3H3/t15-,16+,17+,18-,19+,20-,21+,23-,24-,25-,26+/m1/s1
InChIKeyOQPOFZJZPYRNFF-CULFPKEHSA-N
SMILES
SoftwareSMILES
CACTVS 3.385C[C@@]12CCC[C@](C)([C@H]1CC[C@]34CC(=C)[C@](O)(CC[C@@H]23)C4)C(=O)O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O
CACTVS 3.385C[C]12CCC[C](C)([CH]1CC[C]34CC(=C)[C](O)(CC[CH]23)C4)C(=O)O[CH]5O[CH](CO)[CH](O)[CH](O)[CH]5O
OpenEye OEToolkits 2.0.7C[C@@]12CCC[C@@]([C@H]1CC[C@]34[C@H]2CC[C@](C3)(C(=C)C4)O)(C)C(=O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O
OpenEye OEToolkits 2.0.7CC12CCCC(C1CCC34C2CCC(C3)(C(=C)C4)O)(C)C(=O)OC5C(C(C(C(O5)CO)O)O)O
FormulaC26 H40 O8
Namesteviol-19-o-glucoside
ChEMBL
DrugBank
ZINCZINC000140302291
PDB chain7es1 Chain A Residue 502 [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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PDB7es1 Catalytic flexibility of rice glycosyltransferase OsUGT91C1 for the production of palatable steviol glycosides.
Resolution1.66 Å
Binding residue
(original residue number in PDB)		W22 H27 V129 F130 M155 E283 G380
Binding residue
(residue number reindexed from 1)		W8 H13 V115 F116 M141 E229 G326
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:0035251 UDP-glucosyltransferase activity

View graph for
Molecular Function
External links
PDB RCSB:7es1, PDBe:7es1, PDBj:7es1
PDBsum7es1
PubMed34857750
UniProtQ0DPB7

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