Structure of PDB 6llz Chain B Binding Site BS01

Receptor Information
>6llz Chain B (length=436) Species: 3617 (Fagopyrum esculentum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DQPHVVVCSGAGMGHLTPFLNLASALSSAPYNCKVTLLIVIPLITDAESH
HISSFFSSHPTIHRLDFHVNLPAPKPNVDPFFLRYKSISDSAHRLPVHLS
ALSPPISAVFSDFLFTQGLNTTLPHLPNYTFTTTSARFFTLMSYVPHLAS
SSPVEIPGLEPFPTDNIPPPFFNPEHIFTSFTISNAKYFSLSKGILVNTF
DSFEPETLSALNSGDTLSDLPPVIPIGPLNELEHNKQEELLPWLDQQPEK
SVLYVSFGNRTAMSSDQILELGMGLERSDCRFIWVVKTSKIDKDDKSELR
KLFGEELYLKLSEKGKLVKWVNQTEILGHTAVGGFLSHCGWNSVMEAARR
GVPILAWPQHGDQRENAWVVEKAGLGVWEREWASGIQAAIVEKVKMIMGN
NDLRKSAMKVGEEAKRACDVGGSSATALMNIIGSLK
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 chain6llz Chain B Residue 901 [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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PDB6llz Crystal Structures of theC-Glycosyltransferase UGT708C1 from Buckwheat Provide Insights into the Mechanism ofC-Glycosylation.
Resolution2.006 Å
Binding residue
(original residue number in PDB)		G31 H32 T150 N279 R280 W340 V341 Q343 H358 G360 W361 N362 S363 E366 D382 Q383
Binding residue
(residue number reindexed from 1)		G14 H15 T133 N259 R260 W320 V321 Q323 H338 G340 W341 N342 S343 E346 D362 Q363
Annotation score4
Binding affinityMOAD: Kd=47.88uM
Enzymatic activity
Enzyme Commision number 2.4.1.360: 2-hydroxyflavanone C-glucosyltransferase.
Gene Ontology
Molecular Function
GO:0008194 UDP-glycosyltransferase activity
GO:0016757 glycosyltransferase activity
GO:0035251 UDP-glucosyltransferase activity
GO:0120514 2-hydroxyflavanone C-glucosyltransferase activity

View graph for
Molecular Function
External links
PDB RCSB:6llz, PDBe:6llz, PDBj:6llz
PDBsum6llz
PubMed32699169
UniProtA0A0A1HA03|708C1_FAGES UDP-glycosyltransferase 708C1 (Gene Name=UGT708C1)

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