Structure of PDB 3ck9 Chain A Binding Site BS04

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 IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain3ck9 Chain A Residue 600 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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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)		D273 Q288 D430 D432
Binding residue
(residue number reindexed from 1)		D230 Q245 D387 D389
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
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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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