Structure of PDB 1ded Chain B Binding Site BS01

Receptor Information
>1ded Chain B (length=686) Species: 1410 (Bacillus sp. 1011) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
APDTSVSNKQNFSTDVIYQIFTDRFSDGNPANNPTGAAFDGSCTNLRLYC
GGDWQGIINKINDGYLTGMGITAIWISQPVENIYSVINYSGVNNTAYHGY
WARDFKKTNPAYGTMQDFKNLIDTAHAHNIKVIIDFAPNHTSPASSDDPS
FAENGRLYDNGNLLGGYTNDTQNLFHHYGGTDFSTIENGIYKNLYDLADL
NHNNSSVDVYLKDAIKMWLDLGVDGIRVDAVKNMPFGWQKSFMATINNYK
PVFTFGEWFLGVNEISPEYHQFANESGMSLLDFRFAQKARQVFRDNTDNM
YGLKAMLEGSEVDYAQVNDQVTFIDNHDMERFHTSNGDRRKLEQALAFTL
TSRGVPAIYYGSEQYMSGGNDPDNRARLPSFSTTTTAYQVIQKLAPLRKS
NPAIAYGSTHERWINNDVIIYERKFGNNVAVVAINRNMNTPASITGLVTS
LPRGSYNDVLGGILNGNTLTVGAGGAASNFTLAPGGTAVWQYTTDATTPI
IGNVGPMMAKPGVTITIDGRGFGSGKGTVYFGTTAVTGADIVAWEDTQIQ
VKIPAVPGGIYDIRVANAAGAASNIYDNFEVLTGDQVTVRFVINNATTAL
GQNVFLTGNVSELGNWDPNNAIGPMYNQVVYQYPTWYYDVSVPAGQTIEF
KFLKKQGSTVTWEGGANRTFTTPTSGTATVNVNWQP
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 chain1ded Chain E 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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PDB1ded Crystal structure of alkalophilic asparagine 233-replaced cyclodextrin glucanotransferase complexed with an inhibitor, acarbose, at 2.0 A resolution.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		Y195 A230 E257
Binding residue
(residue number reindexed from 1)		Y195 A230 E257
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) D135 R227 D229 E257 H327 D328
Catalytic site (residue number reindexed from 1) D135 R227 D229 E257 H327 D328
Enzyme Commision number 2.4.1.19: cyclomaltodextrin glucanotransferase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0004556 alpha-amylase activity
GO:0016757 glycosyltransferase activity
GO:0030246 carbohydrate binding
GO:0043169 cation binding
GO:0043895 cyclomaltodextrin glucanotransferase activity
GO:0046872 metal ion binding
GO:2001070 starch binding
Biological Process
GO:0005975 carbohydrate metabolic process
Cellular Component
GO:0005576 extracellular region

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1ded, PDBe:1ded, PDBj:1ded
PDBsum1ded
PubMed10731709
UniProtP05618|CDGT_BACS0 Cyclomaltodextrin glucanotransferase (Gene Name=cgt)

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