Structure of PDB 3cgt Chain A Binding Site BS05

Receptor Information
>3cgt 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 IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain3cgt Chain A Residue 686 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3cgt Structure of cyclodextrin glycosyltransferase complexed with a derivative of its main product beta-cyclodextrin.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		D27 N29 N32 N33 G51 D53
Binding residue
(residue number reindexed from 1)		D27 N29 N32 N33 G51 D53
Annotation score4
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
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:3cgt, PDBe:3cgt, PDBj:3cgt
PDBsum3cgt
PubMed9558324
UniProtP30920|CDGT1_NIACI Cyclomaltodextrin glucanotransferase

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