Structure of PDB 4u3c Chain C Binding Site BS02

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 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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PDB4u3c Crystal structures of Mycobacterium tuberculosis GlgE and complexes with non-covalent inhibitors.
Resolution3.98 Å
Binding residue
(original residue number in PDB)		K288 S303 W305 D383 K557 Y558
Binding residue
(residue number reindexed from 1)		K249 S264 W266 D344 K518 Y519
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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