Structure of PDB 1dtu Chain A Binding Site BS04

Receptor Information
>1dtu 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
GGDWQGIINKINDGYLTGMGVTAIWISQPVENIYSIINDSGVNNTAYHGY
WARDFKKTNPAYGTIADFQNLIAAAHAKNIKVIIDFAPNHTSPASPDQPS
FAENGRLYDNGTLLGGYTNDTQNLFHHNGGTDFSTTENGIYKNLYDLADL
NHNNSTVDVYLKDAIKMWLDLGIDGIRMDAVKHMPFGWQKSFMAAVNNYK
PVFTFGEWFLGVNEVSPENHKFANESGMSLLDFRFAQKVRQVFRDNTDNM
YGLKAMLEGSAADYAQVDDQVTFIDNHDMERFHASNANRRKLEQALAFTL
TSRGVPAIYYGTEQYMSGGTDPDNRARIPSFSTSTTAYQVIQKLAPLRKC
NPAIAYGSTQERWINNDVLIYERKFGSNVAVVAVNRNLNAPASISGLVTS
LPQGSYNDVLGGLLNGNTLSVGSGGAASNFTLAAGGTAVWQYTAATATPT
IGHVGPMMAKPGVTITIDGRGFGSSKGTVYFGTTAVSGADITSWEDTQIK
VKIPAVAGGNYNIKVANAAGTASNVYDNFEVLSGDQVSVRFVVNNATTAL
GQNVYLTGSVSELGNWDPAKAIGPMYNQVVYQYPNWYYDVSVPAGKTIEF
KFLKKQGSTVTWEGGSNHTFTAPSSGTATINVNWQP
Ligand information
Ligand IDG6D
InChIInChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3-,4+,5-,6+/m1/s1
InChIKeySHZGCJCMOBCMKK-DVKNGEFBSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01C1(C(O)C(O)C(O)C(O1)C)O
OpenEye OEToolkits 1.7.6CC1C(C(C(C(O1)O)O)O)O
OpenEye OEToolkits 1.7.6C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O
CACTVS 3.385C[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
CACTVS 3.385C[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O
FormulaC6 H12 O5
Namealpha-D-quinovopyranose;
alpha-D-quinovose;
6-deoxy-alpha-D-glucopyranose;
D-quinovose;
quinovose;
6-DEOXY-ALPHA-D-GLUCOSE
ChEMBL
DrugBankDB03773
ZINCZINC000002042980
PDB chain1dtu 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

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB1dtu Rational design of cyclodextrin glycosyltransferase from Bacillus circulans strain 251 to increase alpha-cyclodextrin production.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		A230 H233 E257 D328
Binding residue
(residue number reindexed from 1)		A230 H233 E257 D328
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

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:1dtu, PDBe:1dtu, PDBj:1dtu
PDBsum1dtu
PubMed10686101
UniProtP43379|CDGT2_NIACI Cyclomaltodextrin glucanotransferase (Gene Name=cgt)

[Back to BioLiP]