Structure of PDB 8g2j Chain C Binding Site BS06

Receptor Information
>8g2j Chain C (length=719) Species: 143775 (Populus tremula x P. tremuloides/Amanita muscaria mixed EST library) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EPLSIVYPIPRNKLTPYRAVIIMRLIILGLFFHYRITNPVDSAFGLWLTS
VICEIWFAFSWVLDQFPKWKPVNRETFIERLSARYEREGEPSQLAAVDFF
VSTVDPLKEPPLITANTVLSILAVDYPVDKVSCYVSDDGAAMLTFESLVE
TAEFARKWVPFCKKFSIEPRAPEFYFSQKIDYLKDKVQPSFVKERRAMKR
DYEEYKVRVNALVAKAQKTPDEGWTMQDGTPWPGNNTRDHPGMIQVFLGN
TGARDIEGNELPRLVYVSREKRPGYQHHKKAGAENALVRVSAVLTNAPYI
LNLDCDHYVNNSKAVREAMCILMDPQVGRDVCYVQFPQRFDGIDRSDRYA
NRNIVFFDVNMKGLDGIQGPMYVGTGCVFNRQALYGYGPPSMPRLSQLSF
EKTFGLSPVFIESTLMENGGVPESANSSTLIKEAIHVIGCGFEEKTEWGK
EIGWIYGSVTEDILSGFKMHCRGWRSIYCMPVRPAFKGSAPINLSDRLHQ
VLRWALGSVEIFFSRHCPFWYGYGGGRLKWLQRLAYINTIVYPFTSLPLI
AYCTIPAVCLLTGKFIIPTLSNLASMLFLGLFISIIVTAVLELRWSGVSI
EDLWRNEQFWVIGGVSAHLFAVFQGFLKMLAGVKWTTLLIPPTTLLIINI
VGVVAGFSDALNKGYEAWGPLFGKVFFAFWVILHLYPFLKGLMGRQNRTP
TIVVLWSVLLTSVFSLVWV
Ligand information
Ligand IDUPG
InChIInChI=1S/C15H24N2O17P2/c18-3-5-8(20)10(22)12(24)14(32-5)33-36(28,29)34-35(26,27)30-4-6-9(21)11(23)13(31-6)17-2-1-7(19)16-15(17)25/h1-2,5-6,8-14,18,20-24H,3-4H2,(H,26,27)(H,28,29)(H,16,19,25)/t5-,6-,8-,9-,10+,11-,12-,13-,14-/m1/s1
InChIKeyHSCJRCZFDFQWRP-JZMIEXBBSA-N
SMILES
SoftwareSMILES
CACTVS 3.370OC[C@H]1O[C@H](O[P](O)(=O)O[P](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N3C=CC(=O)NC3=O)[C@H](O)[C@@H](O)[C@@H]1O
ACDLabs 12.01O=C1C=CN(C(=O)N1)C2OC(C(O)C2O)COP(=O)(OP(=O)(OC3OC(C(O)C(O)C3O)CO)O)O
CACTVS 3.370OC[CH]1O[CH](O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)N3C=CC(=O)NC3=O)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.7.6C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O
OpenEye OEToolkits 1.7.6C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OC3C(C(C(C(O3)CO)O)O)O)O)O
FormulaC15 H24 N2 O17 P2
NameURIDINE-5'-DIPHOSPHATE-GLUCOSE;
URIDINE-5'-MONOPHOSPHATE GLUCOPYRANOSYL-MONOPHOSPHATE ESTER
ChEMBLCHEMBL375951
DrugBankDB01861
ZINCZINC000008215472
PDB chain8g2j Chain C Residue 1001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8g2j Insights into substrate coordination and glycosyl transfer of poplar cellulose synthase-8.
Resolution3.3 Å
Binding residue
(original residue number in PDB)		S258 T259 V260 D294 K435 K436 D460 Q714
Binding residue
(residue number reindexed from 1)		S102 T103 V104 D138 K279 K280 D304 Q500
Annotation score4
Enzymatic activity
Enzyme Commision number 2.4.1.12: cellulose synthase (UDP-forming).
Gene Ontology
Molecular Function
GO:0016757 glycosyltransferase activity
GO:0016759 cellulose synthase activity
GO:0016760 cellulose synthase (UDP-forming) activity
GO:0046872 metal ion binding
Biological Process
GO:0009833 plant-type primary cell wall biogenesis
GO:0030244 cellulose biosynthetic process
GO:0071555 cell wall organization
Cellular Component
GO:0005802 trans-Golgi network
GO:0005886 plasma membrane
GO:0016020 membrane

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:8g2j, PDBe:8g2j, PDBj:8g2j
PDBsum8g2j
PubMed36798277
UniProtQ6J8X0

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