Structure of PDB 3ckb Chain A Binding Site BS01

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 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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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)		D73 E74 W320
Binding residue
(residue number reindexed from 1)		D26 E27 W273
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:3ckb, PDBe:3ckb, PDBj:3ckb
PDBsum3ckb
PubMed18611383
UniProtQ8A1G2|SUSD_BACTN Starch-binding protein SusD (Gene Name=susD)

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