Structure of PDB 8hjp Chain A Binding Site BS01

Receptor Information
>8hjp Chain A (length=432) Species: 190515 (Siraitia grosvenorii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TTTILMLPWLGYGHLSAFLELAKSLSRRNFHIYFCSTSVNLDAIKPKLPS
SFSDSIQFVELHLPSSPEFPPHLHTTNGLPPTLMPALHQAFSMAAQHFES
ILQTLAPHLLIYDSLQPWAPRVASSLKIPAINFNTTGVFVISQGLHPIHY
PHSKFPFSEFVLHNHWKASTERTRKRGEAFLYCLHASCSVILINSFRELE
GKYMDYLSVLLNKKVVPVGPLVYEPNQEDEGYSSIKNWLDKKEPSSTVFV
SFGSEYFPSKEEMEEIAHGLEASEVNFIWVVRFPQEDALPKGFLERAGER
GMVVKGWAPQAKILKHWSTGGFVSHCGWNSVMESMMFGVPIIGVPMHVDQ
PFNAGLVEEAGVGVEAKRDPDGKIQRDEVAKLIKEVVVEKTREDVRKKAR
EMSEILRSKGEEKFDEMVAEISLLLKIEHHHH
Ligand information
Ligand IDPOG
InChIInChI=1S/C21H44O8/c1-15(23)9-24-17(3)11-26-19(5)13-28-21(7)14-29-20(6)12-27-18(4)10-25-16(2)8-22/h15-23H,8-14H2,1-7H3/t15-,16?,17?,18?,19?,20?,21?/m1/s1
InChIKeyOWRNLGZKEZSHGO-QAWAPDBNSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C[C@H](CO)OC[C@@H](C)OC[C@@H](C)OC[C@@H](C)OC[C@@H](C)OC[C@H](C)OC[C@@H](C)O
CACTVS 3.341C[C@@H](O)COC(C)COC(C)COC(C)COC(C)COC(C)COC(C)CO
OpenEye OEToolkits 1.5.0CC(CO)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)O
ACDLabs 10.04O(CC(O)C)C(COC(C)COC(C)COC(C)COC(C)COC(C)CO)C
CACTVS 3.341C[CH](O)COC(C)COC(C)COC(C)COC(C)COC(C)COC(C)CO
FormulaC21 H44 O8
Name(20S)-2,5,8,11,14,17-HEXAMETHYL-3,6,9,12,15,18-HEXAOXAHENICOSANE-1,20-DIOL;
POLYPROPYLENE GLYCOL;
HEPTAPROPYLENE GLYCOL
ChEMBL
DrugBank
ZINC
PDB chain8hjp 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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PDB8hjp Structural insights into the catalytic selectivity of SgUGT94-289-3 towards mogrosides
Resolution2.2 Å
Binding residue
(original residue number in PDB)
Y158 S161 P164 F165
Binding residue
(residue number reindexed from 1)
Y150 S153 P156 F157
Annotation score1
External links