Structure of PDB 9cgt Chain A Binding Site BS02

Receptor Information
>9cgt 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
FAENGRLYDNGTLVGGYTNDTNGYFHHNGGSDFSSLENGIYKNLYDLADF
NHNNATIDKYFKDAIKLWLDMGVDGIRVDAVKHMPLGWQKSWMSSIYAHK
PVFTFGAWFLGSAASDADNTDFANKSGMSLLDFRFNSAVRNVFRDNTSNM
YALDSMINSTATDYNQVNDQVTFIDNHDMDRFKTSAVNNRRLEQALAFTL
TSRGVPAIYYGTEQYLTGNGDPDNRAKMPSFSKSTTAFNVISKLAPLRKS
NPAIAYGSTQQRWINNDVYVYERKFGKSVAVVAVNRNLSTSASITGLSTS
LPTGSYTDVLGGVLNGNNITSTNGSINNFTLAAGATAVWQYTTAETTPTI
GHVGPVMGKPGNVVTIDGRGFGSTKGTVYFGTTAVTGAAITSWEDTQIKV
TIPSVAAGNYAVKVAASGVNSNAYNNFTILTGDQVTVRFVVNNASTTLGQ
NLYLTGNVAELGNWSTGSTAIGPAFNQVIHQYPTWYYDVSVPAGKQLEFK
FFKKNGSTITWESGSNHTFTTPASGTATVTVNWQ
Ligand information
Ligand ID4SG
InChIInChI=1S/C6H12O5S/c7-1-2-5(12)3(8)4(9)6(10)11-2/h2-10,12H,1H2/t2-,3-,4-,5-,6+/m1/s1
InChIKeyKGSURTOFVLAWDC-UKFBFLRUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)S)O
ACDLabs 12.01OC1C(S)C(OC(O)C1O)CO
CACTVS 3.370OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1S
OpenEye OEToolkits 1.7.6C(C1C(C(C(C(O1)O)O)O)S)O
CACTVS 3.370OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1S
FormulaC6 H12 O5 S
Name4-thio-alpha-D-glucopyranose
ChEMBL
DrugBank
ZINC
PDB chain9cgt Chain B 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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PDB9cgt Substrate binding to a cyclodextrin glycosyltransferase and mutations increasing the gamma-cyclodextrin production.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		H327 D328
Binding residue
(residue number reindexed from 1)		H327 D328
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D135 R227 D229 A257 H327 D328
Catalytic site (residue number reindexed from 1) D135 R227 D229 A257 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
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Biological Process
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Cellular Component
External links
PDB RCSB:9cgt, PDBe:9cgt, PDBj:9cgt
PDBsum9cgt
PubMed9738912
UniProtP30920|CDGT1_NIACI Cyclomaltodextrin glucanotransferase

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