Structure of PDB 3ck9 Chain A Binding Site BS03

Receptor Information
>3ck9 Chain A (length=508) Species: 226186 (Bacteroides thetaiotaomicron VPI-5482) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QTGGSFDQQGVFVKGYAMLGVTGQDLDGQDEGESGFYRTTFNCNELPTDE
CLWAWQKNQDIPQLTSISWSPSSQRTEWVYVRLGYDITQYNFFLDQTEGM
TDAETLRQRAEIRFLRALHYWYFLDLFGKAPFKEHFSNDLPVEKKGTELY
TYIQNELNEIEADMYEPRQAPFGRADKAANWLLRARLYLNAGVYTGQTDY
AKAEEYASKVIGSAYKLCTNYSELFMADNDENENAMQEIILPIRQDGVKT
RNYGGSTYLVCGTRVAGMPRMGTTNGWSCIFARAAMVQKFFSNLEDVPML
PADVEIPTKGLDTDEQIDAFDAEHGIRTEDMIKAAGDDRALLYSGVGGGR
RKIQTDAISGFTDGLSIVKWQNYRSDGKPVSHATYPDTDIPLFRLAEAYL
TRAEAIFRQGGDATGDINELRKRANCTRKVQTVTEQELIDEWAREFYLEG
RRRSDLVRFGMFTTNKYLWDWKGGAMNGTSVASYYNKYPIPVSDINNNRN
MSQNEGYK
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 chain3ck9 Chain C Residue 3 [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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PDB3ck9 Starch catabolism by a prominent human gut symbiont is directed by the recognition of amylose helices.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		W96 W98 N101 W320 C322
Binding residue
(residue number reindexed from 1)		W53 W55 N58 W277 C279
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005509 calcium ion binding
GO:0042802 identical protein binding
GO:0046872 metal ion binding
GO:2001070 starch binding
Biological Process
GO:0005982 starch metabolic process
GO:0005983 starch catabolic process
Cellular Component
GO:0009279 cell outer membrane
GO:0019867 outer membrane

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:3ck9, PDBe:3ck9, PDBj:3ck9
PDBsum3ck9
PubMed18611383
UniProtQ8A1G2|SUSD_BACTN Starch-binding protein SusD (Gene Name=susD)

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