Structure of PDB 4hg6 Chain A Binding Site BS06

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 12 [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)		F426 Y455
Binding residue
(residue number reindexed from 1)		F414 Y443
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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