Structure of PDB 4u33 Chain B Binding Site BS01

Receptor Information
>4u33 Chain B (length=661) Species: 83331 (Mycobacterium tuberculosis CDC1551) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PGRVEIDDVAPVVSCGVYPAKAVVGEVVPVSAAVWREGHEAVAATLVVRY
LGVRYPHKPLLIPMTSGQEPFVFHGQFTPDRVGLWTFRVDGWGDPIHTWR
HGLIAKLDAGELSNDLLVGAVLLERAATGVPRGLRDPLLAAAAALRTPGD
PVTRTALALTPEIEELLADYPLRDLVTRGEQFGVWVDRPLARFGAWYEMF
PRSTGGWDDDGNPVHGTFATAAAELPRIAGMGFDVVYLPPIHPIGKVHRK
GRNNSPTAAPTDVGSPWAIGSDEGGHDTVHPSLGTIDDFDDFVSAARDLG
MEVALDLALQCAPDHPWAREHRQWFTELPDGTIAYAENPPKKYQDIYPLN
FDNDPEGLYDEVLRVVQHWVNHGVKFFRVDNPHTKPPNFWAWLIAQVKTV
DPDVLFLSEAFTPPARQYGLAKLGFTQSYSYFTWRTTKWELTEFGNQIAE
LADYRRPNLFVNTPDILHAVLQHNGPGMFAIRAVLAATMSPAWGMYCGYE
LFEHRAVREGSEEYLDSEKYELRPRDFASALDQGRSLQPFITRLNIIRRL
HPAFQQLRTIHFHHVDNDALLAYSKFDPATGDCVLVVVTLNAFGPEEATL
WLDMAALGMEDYDRFWVRDEITGEEYQWGQANYIRIDPARAVAHIINMPA
VPYESRNTLLR
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 chain4u33 Chain H 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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PDB4u33 Crystal structures of Mycobacterium tuberculosis GlgE and complexes with non-covalent inhibitors.
Resolution3.293 Å
Binding residue
(original residue number in PDB)		W305 Q348 D418 E447 D503 K557
Binding residue
(residue number reindexed from 1)		W267 Q310 D380 E409 D465 K519
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:4u33, PDBe:4u33, PDBj:4u33
PDBsum4u33
PubMed26245983
UniProtP9WQ16|GLGE_MYCTO Alpha-1,4-glucan:maltose-1-phosphate maltosyltransferase (Gene Name=glgE)

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