Structure of PDB 3ckb Chain A Binding Site BS02

Receptor Information
>3ckb Chain A (length=504) Species: 226186 (Bacteroides thetaiotaomicron VPI-5482) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SFDQQGVFVKGYAMLGVTGPDLDGQDEGESGFYRTTFNCNELPTDECLWA
WQKNQDIPQLTSISWSPSSQRTEWVYVRLGYDITQYNFFLDQTEGMTDAE
TLRQRAEIRFLRALHYWYFLDLFGKAPFKEHFSNDLPVEKKGTELYTYIQ
NELNEIEADMYEPRQAPFGRADKAANWLLRARLYLNAGVYTGQTDYAKAE
EYASKVIGSAYKLCTNYSELFMADNDENENAMQEIILPIRQDGVKTRNYG
GSTYLVCGTRVAGMPRMGTTNGWSCIFARAAMVQKFFSNLEDVPMLPADV
EIPTKGLDTDEQIDAFDAEHGIRTEDMIKAAGDDRALLYSGVGGGRRKIQ
TDAISGFTDGLSIVKWQNYRSDGKPVSHATYPDTDIPLFRLAEAYLTRAE
AIFRQGGDATGDINELRKRANCTRKVQTVTEQELIDEWAREFYLEGRRRS
DLVRFGMFTTNKYLWDWKGGAMNGTSVASYYNKYPIPVSDINNNRNMSQN
EGYK
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 chain3ckb Chain C 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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PDB3ckb Starch catabolism by a prominent human gut symbiont is directed by the recognition of amylose helices.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		W96 W98 N101 W320 C322
Binding residue
(residue number reindexed from 1)		W49 W51 N54 W273 C275
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
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:3ckb, PDBe:3ckb, PDBj:3ckb
PDBsum3ckb
PubMed18611383
UniProtQ8A1G2|SUSD_BACTN Starch-binding protein SusD (Gene Name=susD)

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