Structure of PDB 5gl5 Chain A Binding Site BS01

Receptor Information
>5gl5 Chain A (length=431) Species: 559292 (Saccharomyces cerevisiae S288C) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NKSYKFGLLTIGSRGDVQPYIALGKGLIKEGHQVVIITHSEFRDFVESHG
IQFEEIAGNPVELMSLMVENESMNVKMLREASSKFRGWIDALLQTSWEVC
NRRKFDILIESPSAMVGIHITEALQIPYFRAFTMPWTRTRAYPHAFIVPD
QKRGGNYNYLTHVLFENVFWKGISGQVNKWRVETLGLGKTNLFLLQQNNV
PFLYNVSPTIFPPSIDFSEWVRVTGYWFLDDKSTFKPPAELQEFISEARS
KGKKLVYIGFGSIVVSNAKEMTEALVEAVMEADVYCILNKGWSERLGKKT
EVDLPRNILNIGNVPHDWLFPQVDAAVHHGGSGTTGASLRAGLPTVIKPF
FGDQFFYAGRVEDIGVGIALKKLNAQTLADALKVATTNKIMKDRAGLIKK
KISKEDGIKTAISAIYNELEYARSVTLSRVK
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 chain5gl5 Chain A Residue 1201 [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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PDB5gl5 Structural Dissection of Sterol Glycosyltransferase UGT51 from Saccharomyces cerevisiae for Substrate Specificity.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		S749 R750 G751 D752 N1053 V1054 P1055 H1056 G1071 S1072 G1073 T1074 D1093 Q1094
Binding residue
(residue number reindexed from 1)		S13 R14 G15 D16 N313 V314 P315 H316 G331 S332 G333 T334 D353 Q354
Annotation score4
Enzymatic activity
Enzyme Commision number 2.4.1.-
2.4.1.173: sterol 3beta-glucosyltransferase.
Gene Ontology
Molecular Function
GO:0008194 UDP-glycosyltransferase activity
GO:0016758 hexosyltransferase activity
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0030259 lipid glycosylation

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:5gl5, PDBe:5gl5, PDBj:5gl5
PDBsum5gl5
PubMed30395931
UniProtQ06321|ATG26_YEAST Sterol 3-beta-glucosyltransferase (Gene Name=ATG26)

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