Structure of PDB 4hg6 Chain A Binding Site BS05

Receptor Information
>4hg6 Chain A (length=747) Species: 1063 (Cereibacter sphaeroides) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VVPVLLFLLWVALLVPFGLLAAAPVAPSAQGLIALSAVVLVALLKPFADK
MVPRFLLLSAASMLVMRYWFWRLFETLPPPALDASFLFALLLFAVETFSI
SIFFLNGFLSADPTDRPFPRPLQPEELPTVDILVPSYNEPADMLSVTLAA
AKNMIYPARLRTVVLCDDGGTDQRCMSPDPELAQKAQERRRELQQLCREL
GVVYSTRERNEHAKAGNMSAALERLKGELVVVFDADHVPSRDFLARTVGY
FVEDPDLFLVQTPHFFINPDPIQRNLALGDRCPPENEMFYGKIHRGLDRW
GGAFFCGSAAVLRRRALDEAGGFAGETITEDAETALEIHSRGWKSLYIDR
AMIAGLQPETFASFIQQRGRWATGMMQMLLLKNPLFRRGLGIAQRLCYLN
SMSFWFFPLVRMMFLVAPLIYLFFGIEIFVATFEEVLAYMPGYLAVSFLV
QNALFARQRWPLVSEVYEVAQAPYLARAIVTTLLRPRSARFAVTAKDETL
SENYISPIYRPLLFTFLLCLSGVLATLVRWVAFPGDRSVLLVVGGWAVLN
VLLVGFALRAVAEKQQRRAAPRVQMEVPAEAQIPAFGNRSLTATVLDAST
SGVRLLVRLPGVGDPHPALEAGGLIQFQPKFPDAPQLERMVRGRIRSARR
EGGTVMVGVIFEAGQPIAVRETVAYLIFGESAHWRTMREATMRPIGLLHG
MARILWMAAASLPKTARDFMDEPARRRRRHEEPKEKQAHLLAFGTDF
Ligand information
Ligand IDBGC
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-VFUOTHLCSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6C(C1C(C(C(C(O1)O)O)O)O)O
CACTVS 3.370OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O
CACTVS 3.370OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.7.6C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O
ACDLabs 12.01OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namebeta-D-glucopyranose;
beta-D-glucose;
D-glucose;
glucose
ChEMBLCHEMBL1614854
DrugBankDB02379
ZINCZINC000003833800
PDB chain4hg6 Chain C Residue 11 [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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PDB4hg6 Crystallographic snapshot of cellulose synthesis and membrane translocation.
Resolution3.25 Å
Binding residue
(original residue number in PDB)		E108 F426 P430 M452 W558
Binding residue
(residue number reindexed from 1)		E96 F414 P418 M440 W546
Annotation score1
Enzymatic activity
Enzyme Commision number 2.4.1.12: cellulose synthase (UDP-forming).
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0005515 protein binding
GO:0016757 glycosyltransferase activity
GO:0016758 hexosyltransferase activity
GO:0016759 cellulose synthase activity
GO:0016760 cellulose synthase (UDP-forming) activity
GO:0035438 cyclic-di-GMP binding
Biological Process
GO:0006011 UDP-glucose metabolic process
GO:0030244 cellulose biosynthetic process
Cellular Component
GO:0005886 plasma membrane
GO:0016020 membrane

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:4hg6, PDBe:4hg6, PDBj:4hg6
PDBsum4hg6
PubMed23222542
UniProtQ3J125

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