Structure of PDB 1cxl Chain A Binding Site BS06

Receptor Information
>1cxl Chain A (length=686) Species: 1397 (Niallia circulans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
APDTSVSNKQNFSTDVIYQIFTDRFSDGNPANNPTGAAFDGTCTNLRLYC
GGDWQGIINKINDGYLTGMGVTAIWISQPVENIYSIINYSGVNNTAYHGY
WARDFKKTNPAYGTIADFQNLIAAAHAKNIKVIIDFAPNHTSPASSDQPS
FAENGRLYDNGTLLGGYTNDTQNLFHHNGGTDFSTTENGIYKNLYDLADL
NHNNSTVDVYLKDAIKMWLDLGIDGIRMDAVKHMPFGWQKSFMAAVNNYK
PVFTFGQWFLGVNEVSPENHKFANESGMSLLDFRFAQKVRQVFRDNTDNM
YGLKAMLEGSAADYAQVDDQVTFIDNHDMERFHASNANRRKLEQALAFTL
TSRGVPAIYYGTEQYMSGGTDPDNRARIPSFSTSTTAYQVIQKLAPLRKS
NPAIAYGSTQERWINNDVLIYERKFGSNVAVVAVNRNLNAPASISGLVTS
LPQGSYNDVLGGLLNGNTLSVGSGGAASNFTLAAGGTAVWQYTAATATPT
IGHVGPMMAKPGVTITIDGRGFGSSKGTVYFGTTAVSGADITSWEDTQIK
VKIPAVAGGNYNIKVANAAGTASNVYDNFEVLSGDQVSVRFVVNNATTAL
GQNVYLTGSVSELGNWDPAKAIGPMYNQVVYQYPNWYYDVSVPAGKTIEF
KFLKKQGSTVTWEGGSNHTFTAPSSGTATINVNWQP
Ligand information
Ligand IDGLF
InChIInChI=1S/C6H11FO5/c7-6-5(11)4(10)3(9)2(1-8)12-6/h2-6,8-11H,1H2/t2-,3-,4+,5-,6+/m1/s1
InChIKeyATMYEINZLWEOQU-DVKNGEFBSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)F)O)O)O)O
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(O1)F)O)O)O)O
CACTVS 3.341OC[CH]1O[CH](F)[CH](O)[CH](O)[CH]1O
CACTVS 3.341OC[C@H]1O[C@H](F)[C@H](O)[C@@H](O)[C@@H]1O
ACDLabs 10.04FC1OC(C(O)C(O)C1O)CO
FormulaC6 H11 F O5
Namealpha-D-glucopyranosyl fluoride;
1-FLUORO-ALPHA-1-DEOXY-D-GLUCOSE;
alpha-D-glucosyl fluoride;
D-glucosyl fluoride;
glucosyl fluoride
ChEMBL
DrugBank
ZINCZINC000005131876
PDB chain1cxl Chain D 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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PDB1cxl X-ray structures along the reaction pathway of cyclodextrin glycosyltransferase elucidate catalysis in the alpha-amylase family.
Resolution1.81 Å
Binding residue
(original residue number in PDB)		K651 W662
Binding residue
(residue number reindexed from 1)		K651 W662
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D135 R227 D229 Q257 H327 D328
Catalytic site (residue number reindexed from 1) D135 R227 D229 Q257 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:1cxl, PDBe:1cxl, PDBj:1cxl
PDBsum1cxl
PubMed10331869
UniProtP43379|CDGT2_NIACI Cyclomaltodextrin glucanotransferase (Gene Name=cgt)

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