Structure of PDB 7zer Chain A Binding Site BS01

Receptor Information
>7zer Chain A (length=474) Species: 4558 (Sorghum bicolor) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PTPHVVLVPFPGQGHVAPLMQLARLLHARGARVTFVYTQYNYRRLLRAKG
EAAVRPPATSSARFRIEVIDDGLSLSVPQNDVGGLVDSLRKNCLHPFRAL
LRRLGQEVEGQDAPPVTCVVGDVVMTFAAAAAREAGIPEVQFFTASACGL
LGYLHYGELVERGLVPFRDASLLADDDYLDTPLEWVPGMSHMRLRDMPTF
CRTTDPDDVMVSATLQQMESAAGSKALILNTLYELEKDVVDALAAFFPPI
YTVGPLAEVIASSAMDISIWQEDTRCLSWLDGKPAGSVVYVNFGSMAVMT
AAQAREFALGLASCGSPFLWVKRPDVVEGEEVLLPEALLDEVARGRGLVV
PWCPQAAVLKHAAVGLFVSHCGWNSLLEATAAGQPVLAWPCHGEQTTNCR
QLCEVWGNGAQLPREVESGAVARLVREMMVGDLGKEKRAKAAEWKAAAEA
AARKGGASWRNVERVVNDLLLVGG
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 chain7zer Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7zer Structure-guided engineering of key amino acids in UGT85B1 controlling substrate and stereo-specificity in aromatic cyanogenic glucoside biosynthesis.
Resolution1.42 Å
Binding residue
(original residue number in PDB)		N308 S311 W368 C369 H386 G388 N390 S391 E394
Binding residue
(residue number reindexed from 1)		N292 S295 W352 C353 H370 G372 N374 S375 E378
Annotation score3
Enzymatic activity
Enzyme Commision number 2.4.1.85: cyanohydrin beta-glucosyltransferase.
Gene Ontology
Molecular Function
GO:0008194 UDP-glycosyltransferase activity
GO:0016757 glycosyltransferase activity
GO:0047792 cyanohydrin beta-glucosyltransferase activity
Biological Process
GO:0010132 dhurrin biosynthetic process
Cellular Component
GO:0005737 cytoplasm
GO:0005783 endoplasmic reticulum
GO:0005789 endoplasmic reticulum membrane
GO:0016020 membrane

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7zer, PDBe:7zer, PDBj:7zer
PDBsum7zer
PubMed35819080
UniProtQ9SBL1|HMNGT_SORBI Cyanohydrin beta-glucosyltransferase (Gene Name=UGT85B1)

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