Structure of PDB 6cgt Chain A Binding Site BS01

Receptor Information
>6cgt Chain A (length=684) Species: 1397 (Niallia circulans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DPDTAVTNKQSFSTDVIYQVFTDRFLDGNPSNNPTGAAYDATCSNLKLYC
GGDWQGLINKINDNYFSDLGVTALWISQPVENIFATINYSGVTNTAYHGY
WARDFKKTNPYFGTMADFQNLITTAHAKGIKIVIDFAPNHTSPAMETDTS
FAENGRLYDNGTLVGGYTNDTNGYFHHNGGSDFSSLENGIYKNTYDLADF
NHNNATIDKYFKDAIKLWLDMGVDGIRVDAVKHMPLGWQKSWMSSIYAHK
PVFTFGEWFLGSAASDADNTDFANKSGMSLLDFRFNSAVRNVFRDNTSNM
YALDSMINSTATDYNQVNDQVTFIDNHDMDRFKTSAVNNRRLEQALAFTL
TSRGVPAIYYGTEQYLTGNGDPDNRAKMPSFSKSTTAFNVISKLAPLRKS
NPAIAYGSTQQRWINNDVYVYERKFGKSVAVVAVNRNLSTSASITGLSTS
LPTGSYTDVLGGVLNGNNITSTNGSINNFTLAAGATAVWQYTTAETTPTI
GHVGPVMGKPGNVVTIDGRGFGSTKGTVYFGTTAVTGAAITSWEDTQIKV
TIPSVAAGNYAVKVAASGVNSNAYNNFTILTGDQVTVRFVVNNASTTLGQ
NLYLTGNVAELGNWSTGSTAIGPAFNQVIHQYPTWYYDVSVPAGKQLEFK
FFKKNGSTITWESGSNHTFTTPASGTATVTVNWQ
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 chain6cgt Chain B 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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PDB6cgt Substrate binding to a cyclodextrin glycosyltransferase and mutations increasing the gamma-cyclodextrin production.
Resolution2.6 Å
Binding residue
(original residue number in PDB)		K232 F259
Binding residue
(residue number reindexed from 1)		K232 F259
Annotation score4
Binding affinityPDBbind-CN: -logKd/Ki=6.00,Ki=1uM
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:6cgt, PDBe:6cgt, PDBj:6cgt
PDBsum6cgt
PubMed9738912
UniProtP30920|CDGT1_NIACI Cyclomaltodextrin glucanotransferase

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