Structure of PDB 4cgt Chain A Binding Site BS02

Receptor Information
>4cgt Chain A (length=678) Species: 1397 (Niallia circulans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DPDTAVTNKQSFSTDVIYQVFTDRFLDGNPSNNPTGAAYDATCSNLKLYC
GGDWQGLINKINDNYFSDLGVTALWISQPVENIFATINYSGVTNTAYHGY
WARDFKKTNPYFGTMADFQNLITTAHAKGIKIVIDFAPNHTSPADAENGR
LYDNGTLVGGYTNDTNGYFHHNGGSDFSSLENGIYKNLYDLADFNHNNAT
IDKYFKDAIKLWLDMGVDGIRVDAVKHMPLGWQKSWMSSIYAHKPVFTFG
EWFLGSAASDADNTDFANKSGMSLLDFRFNSAVRNVFRDNTSNMYALDSM
INSTATDYNQVNDQVTFIDNHDMDRFKTSAVNNRRLEQALAFTLTSRGVP
AIYYGTEQYLTGNGDPDNRAKMPSFSKSTTAFNVISKLAPLRKSNPAIAY
GSTQQRWINNDVYVYERKFGKSVAVVAVNRNLSTSASITGLSTSLPTGSY
TDVLGGVLNGNNITSTNGSINNFTLAAGATAVWQYTTAETTPTIGHVGPV
MGKPGNVVTIDGRGFGSTKGTVYFGTTAVTGAAITSWEDTQIKVTIPSVA
AGNYAVKVAASGVNSNAYNNFTILTGDQVTVRFVVNNASTTLGQNLYLTG
NVAELGNWSTGSTAIGPAFNQVIHQYPTWYYDVSVPAGKQLEFKFFKKNG
STITWESGSNHTFTTPASGTATVTVNWQ
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 chain4cgt 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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PDB4cgt Substrate binding to a cyclodextrin glycosyltransferase and mutations increasing the gamma-cyclodextrin production.
Resolution2.6 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 E257 H327 D328
Catalytic site (residue number reindexed from 1) D135 R221 D223 E251 H321 D322
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:4cgt, PDBe:4cgt, PDBj:4cgt
PDBsum4cgt
PubMed9738912
UniProtP30920|CDGT1_NIACI Cyclomaltodextrin glucanotransferase

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