Structure of PDB 4u3c Chain C Binding Site BS01

Receptor Information
>4u3c Chain C (length=660) Species: 83331 (Mycobacterium tuberculosis CDC1551) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PGRVEIDDVAPVVSCGVYPAKAVVGEVVPVSAAVWREGHEAVAATLVVRY
LGVRYPKPLLIPMTSGQEPFVFHGQFTPDRVGLWTFRVDGWGDPIHTWRH
GLIAKLDAGELSNDLLVGAVLLERAATGVPRGLRDPLLAAAAALRTPGDP
VTRTALALTPEIEELLADYPLRDLVTRGEQFGVWVDRPLARFGAWYEMFP
RSTGGWDDDGNPVHGTFATAAAELPRIAGMGFDVVYLPPIHPIGKVHRKG
RNNSPTAAPTDVGSPWAIGSDEGGHDTVHPSLGTIDDFDDFVSAARDLGM
EVALDLALQCAPDHPWAREHRQWFTELPDGTIAYAENPPKKYQDIYPLNF
DNDPEGLYDEVLRVVQHWVNHGVKFFRVDNPHTKPPNFWAWLIAQVKTVD
PDVLFLSEAFTPPARQYGLAKLGFTQSYSYFTWRTTKWELTEFGNQIAEL
ADYRRPNLFVNTPDILHAVLQHNGPGMFAIRAVLAATMSPAWGMYCGYEL
FEHRAVREGSEEYLDSEKYELRPRDFASALDQGRSLQPFITRLNIIRRLH
PAFQQLRTIHFHHVDNDALLAYSKFDPATGDCVLVVVTLNAFGPEEATLW
LDMAALGMEDYDRFWVRDEITGEEYQWGQANYIRIDPARAVAHIINMPAV
PYESRNTLLR
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 chain4u3c Chain K Residue 1 [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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PDB4u3c Crystal structures of Mycobacterium tuberculosis GlgE and complexes with non-covalent inhibitors.
Resolution3.98 Å
Binding residue
(original residue number in PDB)		W305 N419 D503
Binding residue
(residue number reindexed from 1)		W266 N380 D464
Annotation score1
Enzymatic activity
Enzyme Commision number 2.4.99.16: starch synthase (maltosyl-transferring).
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0016757 glycosyltransferase activity
GO:0016758 hexosyltransferase activity
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0005978 glycogen biosynthetic process
GO:0030979 alpha-glucan biosynthetic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:4u3c, PDBe:4u3c, PDBj:4u3c
PDBsum4u3c
PubMed26245983
UniProtP9WQ16|GLGE_MYCTO Alpha-1,4-glucan:maltose-1-phosphate maltosyltransferase (Gene Name=glgE)

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