Structure of PDB 5cgm Chain A Binding Site BS01

Receptor Information
>5cgm Chain A (length=669) Species: 1078020 (Mycolicibacterium thermoresistibile ATCC 19527) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GSVAGRIVIDDVQPVVSNGRYPAKAVVGEVVPVAATVWREGHDAVAATLV
VRYHGTTYPDLADPPPGPQRLPMSPGHTPDVFHGHFTPDRVGLWTYRVDG
WGDPIASWRHNVTAKLQGESELNNDLLVGARLLERAATGVPRELREALLE
AAAALRAPGDPFTRAGAALSAEVSDLLAEYPLREFVTRGEQYGVWVDRPE
ARFSSWYEMFPRSTGGWDAEGRPVHGTFATAAEALPRIARMGFDVVYLPP
IHPIGKVHRKGRNNSVTAAPGDVGSPWAIGSDEGGHDAVHPQLGTIEDFD
EFVASARDLGLEVALDLALQCAPDHPWAREHPEWFTVLPDGSIAYAEKYQ
DIYPLNFDNDPAGIYQEVLRVVRFWISHGVNIFRVDNPHTKPPNFWAWLI
GQIKNENPDVLFLSEAFTRPARLYGLAKLGFTQSYTYFTWRTSKWELTEF
GQEIAAKADIARPNLFVNTPDILHESLQHGGPGMFAIRAVLAATMGPAWG
VYSGYELFENQPVRPGSEEYLNSEKYELRPRDFESALARGESLEPFLTRL
NEIRRLHPALRELRTIRFHHVDNDALLAYSKFDPGTGDTVLVVVTLNPFG
AEEATLWLDMPELGMEPYDRFWVRDEITGEEYQWGQANYVRLDPAKAVAH
VLNMPLIPADKRLQLLRRE
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 chain5cgm Chain C 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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PDB5cgm Structure of Mycobacterium thermoresistibile GlgE defines novel conformational states that contribute to the catalytic mechanism.
Resolution1.95 Å
Binding residue
(original residue number in PDB)		W300 Q343 Y376 R411 D413 E442 D498
Binding residue
(residue number reindexed from 1)		W277 Q320 Y349 R384 D386 E415 D471
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:0030979 alpha-glucan biosynthetic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:5cgm, PDBe:5cgm, PDBj:5cgm
PDBsum5cgm
PubMed26616850
UniProtG7CL00

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