Structure of PDB 8cgt Chain A Binding Site BS05

Receptor Information
>8cgt 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 chain8cgt Chain A Residue 685 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8cgt Substrate binding to a cyclodextrin glycosyltransferase and mutations increasing the gamma-cyclodextrin production.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		N139 I190 D199 H233
Binding residue
(residue number reindexed from 1)		N139 I190 D199 H233
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:8cgt, PDBe:8cgt, PDBj:8cgt
PDBsum8cgt
PubMed9738912
UniProtP30920|CDGT1_NIACI Cyclomaltodextrin glucanotransferase

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