Structure of PDB 8wop Chain A Binding Site BS02

Receptor Information
>8wop Chain A (length=339) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AKSVLVTGGAGYIGSHTVLQLLEGGYSAVVVDNYDNSSAASLQRVKKLAG
ENGNRLSFHQVDLRDRPALEKIFSETKFDAVIHFAGLKAVGESVEKPLLY
YNNNIVGTVTLLEVMAQYGCKNLVFSSSATVYGWPKEVPCTEESPISATN
PYGRTKLFIEEICRDVHRSDSEWKIILLRYFNPVGAHPSGYIGEDPLGVP
NNLMPYVQQVAVGRRPHLTVFGTDYKTKDGTGVRDYIHVMDLADGHIAAL
RKLDDISCEVYNLGTGNGTSVLEMVAAFEKASGKKIPLVMAGRRPGDAEV
VYASTEKAERELNWKAKNGIEEMCRDLWNWASNNPYGYN
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 chain8wop Chain A Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8wop Cytosolic UDP-L-arabinose synthesis by bifunctional UDP-glucose 4-epimerases in Arabidopsis.
Resolution2.35 Å
Binding residue
(original residue number in PDB)		G9 G12 Y13 I14 D33 N34 N37 S38 D63 F85 A86 G87 K89 N104 S127 S129 Y153 K157 Y181 P184
Binding residue
(residue number reindexed from 1)		G8 G11 Y12 I13 D32 N33 N36 S37 D62 F84 A85 G86 K88 N103 S126 S128 Y152 K156 Y180 P183
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:8wop, PDBe:8wop, PDBj:8wop
PDBsum8wop
PubMed38678521
UniProtQ9T0A7|UGE2_ARATH UDP-glucose 4-epimerase 2 (Gene Name=UGE2)

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