Structure of PDB 7vel Chain B Binding Site BS01

Receptor Information
>7vel Chain B (length=449) Species: 3527 (Phytolacca americana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QLHVVFFPIMAHGHMIPTLDIARLFAARNVRATIITTPLNAHTFTKAIEG
SPTIHLELFKFPAQDVGLPEGCENLEQALGSSLIEKFFKGVGLLREQLEA
YLEKTRPNCLVADMFFPWATDSAAKFNIPRLVFHGTSFFSLCALEVVRLY
EPHKNVSSDEELFSLPLFPHDIKMMRLQLPEDVWKHEKAEGKTRLKLIKE
SELKSYGVIVNSFYELEPNYAEFFRKELGRRAWNIGPVSLCNREHECLKW
LNSKKKNSVIYICFGSTAHQIAPQLYEIAMALEASGQEFIWVVRDDSWLP
RGFEQRVEGKGLIIRGWAPQVLILEHEAIGAFVTHCGWNSTLEGITAGVP
MVTWPIFAEQFYNEKLVNQILKIGVPVGANKWSRETSIEDVIKKDAIEKA
LREIMVGDEAEERRSRAKKLKEMAWKAVEEGGSSYSDLSALIEELRGYH
Ligand information
Ligand IDO4B
InChIInChI=1S/C12H24O6/c1-2-14-5-6-16-9-10-18-12-11-17-8-7-15-4-3-13-1/h1-12H2
InChIKeyXEZNGIUYQVAUSS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 1.9.2		C1COCCOCCOCCOCCOCCO1
ACDLabs 12.01O1CCOCCOCCOCCOCCOCC1
FormulaC12 H24 O6
Name1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE
ChEMBLCHEMBL155204
DrugBank
ZINCZINC000003861356
PDB chain7vel Chain A Residue 602 [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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PDB7vel Structural basis for substrate recognition in the Phytolacca americana glycosyltransferase PaGT3.
Resolution2.15 Å
Binding residue
(original residue number in PDB)		K237 G240
Binding residue
(residue number reindexed from 1)		K226 G229
Annotation score1
Enzymatic activity
Enzyme Commision number 2.4.1.-
Gene Ontology
Molecular Function
GO:0008194 UDP-glycosyltransferase activity
GO:0016757 glycosyltransferase activity
GO:0035251 UDP-glucosyltransferase activity
GO:0046527 glucosyltransferase activity

View graph for
Molecular Function
External links
PDB RCSB:7vel, PDBe:7vel, PDBj:7vel
PDBsum7vel
PubMed35234151
UniProtB5MGN9

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