Structure of PDB 3t7d Chain B Binding Site BS02

Receptor Information
>3t7d Chain B (length=454) Species: 264445 (Streptomyces hygroscopicus subsp. limoneus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EIFLASKRAAITYNVVAEQAGVLNISWIASADSEDDRRASALNPDGVTME
LHSGREILVRLIRHDPAVFRNVQNFMTANLMWAANNYGWDRWTQPSFGSD
AREGWADFGRFTRDFADAILKSSAQSADPVYLVHDYQLVGVPALLREQRP
DAPILLFVHIPWPSADYWRILPKEIRTGILHGMLPATTIGFFADRWCRNF
LESVADLLPDARIDREAMTVEWRGHRTRLRTMPLGYSPLTLDPQLPEGIE
EWADGHRLVVHSGRTDPIKNAERAVRAFVLAARGGGLEKTRMLVRMNPNR
LYVPANADYVHRVETAVAEANAELGSDTVRIDNDNDVNHTIACFRRADLL
IFNSTVDGQNLSTFEAPLVNERDADVILSETCGAAEVLGEYCRSVNPFDL
VEQAEAISAALAAGPRQRAEAAARRRDAARPWTLEAWVQAQLDGLAADHA
ARTA
Ligand information
Ligand IDGLC
InChIInChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1
InChIKeyWQZGKKKJIJFFOK-DVKNGEFBSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(O1)O)O)O)O)O
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O
CACTVS 3.341OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
CACTVS 3.341OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O
ACDLabs 10.04OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namealpha-D-glucopyranose;
alpha-D-glucose;
D-glucose;
glucose
ChEMBLCHEMBL423707
DrugBank
ZINCZINC000003861213
PDB chain3t7d Chain D Residue 2 [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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PDB3t7d Structural basis for the substrate specificity of ValL
Resolution1.7 Å
Binding residue
(original residue number in PDB)		R12 W105 R326
Binding residue
(residue number reindexed from 1)		R8 W82 R300
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H182 D383
Catalytic site (residue number reindexed from 1) H159 D357
Enzyme Commision number 2.5.1.135: validamine 7-phosphate valienyltransferase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0016740 transferase activity
GO:0016758 hexosyltransferase activity
Biological Process
GO:0005992 trehalose biosynthetic process
GO:0017000 antibiotic biosynthetic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:3t7d, PDBe:3t7d, PDBj:3t7d
PDBsum3t7d
PubMed
UniProtQ15JG1|VLDE_STRHL Validamine 7-phosphate valienyltransferase (Gene Name=vldE)

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