Structure of PDB 8g27 Chain D Binding Site BS03

Receptor Information
>8g27 Chain D (length=718) Species: 47664 (Populus tremula x Populus tremuloides) [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
TIVVLWSVLLTSVFSLVW
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 chain8g27 Chain D Residue 1001 [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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PDB8g27 Insights into substrate coordination and glycosyl transfer of poplar cellulose synthase-8.
Resolution3.3 Å
Binding residue
(original residue number in PDB)		K435 R717
Binding residue
(residue number reindexed from 1)		K279 R503
Annotation score3
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

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Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:8g27, PDBe:8g27, PDBj:8g27
PDBsum8g27
PubMed36798277
UniProtQ6J8X0

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