Structure of PDB 8wov Chain B Binding Site BS01

Receptor Information
>8wov Chain B (length=341) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MAKSVLVTGGAGYIGSHTVLQLLEGGYSAVVVDNYDNSSAASLQRVKKLA
GENGNRLSFHQVDLRDRPALEKIFSETKFDAVIHFAGLKAVGESVEKPLL
YYNNNIVGTVTLLEVMAQYGCKNLVFSSSATVYGWPKEVPCTEESPISAT
NPYGRTKLFIEEICRDVHRSDSEWKIILLRYFNPVGAHPSGYIGEDPLGV
PNNLMPYVQQVAVGRRPHLTVFGTDYKTKDGTAVRDYIHVMDLADGHIAA
LRKLDDLKISCEVYNLGTGNGTSVLEMVAAFEKASGKKIPLVMAGRRPGD
AEVVYASTEKAERELNWKAKNGIEEMCRDLWNWASNNPYGY
Ligand information
Ligand IDNAD
InChIInChI=1S/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1
InChIKeyBAWFJGJZGIEFAR-NNYOXOHSSA-N
SMILES
SoftwareSMILES
CACTVS 3.341NC(=O)c1ccc[n+](c1)[C@@H]2O[C@H](CO[P]([O-])(=O)O[P@](O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n4cnc5c(N)ncnc45)[C@@H](O)[C@H]2O
OpenEye OEToolkits 1.5.0c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N
CACTVS 3.341NC(=O)c1ccc[n+](c1)[CH]2O[CH](CO[P]([O-])(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O
OpenEye OEToolkits 1.5.0c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N
FormulaC21 H27 N7 O14 P2
NameNICOTINAMIDE-ADENINE-DINUCLEOTIDE
ChEMBLCHEMBL1234613
DrugBankDB14128
ZINC
PDB chain8wov Chain B Residue 401 [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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PDB8wov Cytosolic UDP-L-arabinose synthesis by bifunctional UDP-glucose 4-epimerases in Arabidopsis.
Resolution2.25 Å
Binding residue
(original residue number in PDB)		G9 G12 Y13 I14 D33 N34 D36 N37 S38 D63 L64 F85 A86 G87 K89 N104 S127 S129 Y153 K157 Y181 P184
Binding residue
(residue number reindexed from 1)		G9 G12 Y13 I14 D33 N34 D36 N37 S38 D63 L64 F85 A86 G87 K89 N104 S127 S129 Y153 K157 Y181 P184
Annotation score1
Enzymatic activity
Enzyme Commision number 5.1.3.2: UDP-glucose 4-epimerase.
Gene Ontology
Molecular Function
GO:0003978 UDP-glucose 4-epimerase activity
GO:0016853 isomerase activity
GO:1901149 salicylic acid binding
Biological Process
GO:0006012 galactose metabolic process
GO:0042546 cell wall biogenesis
GO:0071555 cell wall organization
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:8wov, PDBe:8wov, PDBj:8wov
PDBsum8wov
PubMed38678521
UniProtQ9T0A7|UGE2_ARATH UDP-glucose 4-epimerase 2 (Gene Name=UGE2)

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