Structure of PDB 7zf0 Chain A Binding Site BS02

Receptor Information
>7zf0 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 IDDHR
InChIInChI=1S/C8H7NO2/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,8,10-11H/t8-/m1/s1
InChIKeyHOOOPXDSCKBLFG-MRVPVSSYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc(ccc1C(C#N)O)O
CACTVS 3.341O[CH](C#N)c1ccc(O)cc1
CACTVS 3.341O[C@H](C#N)c1ccc(O)cc1
ACDLabs 10.04N#CC(O)c1ccc(O)cc1
OpenEye OEToolkits 1.5.0c1cc(ccc1[C@@H](C#N)O)O
FormulaC8 H7 N O2
Name(2S)-HYDROXY(4-HYDROXYPHENYL)ETHANENITRILE
ChEMBL
DrugBankDB03430
ZINCZINC000008100932
PDB chain7zf0 Chain A Residue 508 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7zf0 Structure-guided engineering of key amino acids in UGT85B1 controlling substrate and stereo-specificity in aromatic cyanogenic glucoside biosynthesis.
Resolution1.5 Å
Binding residue
(original residue number in PDB)		H23 V90 V132 M218 H408
Binding residue
(residue number reindexed from 1)		H15 V82 V124 M210 H392
Annotation score5
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

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7zf0, PDBe:7zf0, PDBj:7zf0
PDBsum7zf0
PubMed35819080
UniProtQ9SBL1|HMNGT_SORBI Cyanohydrin beta-glucosyltransferase (Gene Name=UGT85B1)

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