Structure of PDB 1ciu Chain A Binding Site BS02

Receptor Information
>1ciu Chain A (length=683) Species: 33950 (Thermoanaerobacterium thermosulfurigenes) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ASDTAVSNVVNYSTDVIYQIVTDRFVDGNTSNNPTGDLYDPTHTSLKKYF
GGDWQGIINKINDGYLTGMGVTAIWISQPVENIYAVLPDSTFGGSTSYHG
YWARDFKRTNPYFGSFTDFQNLINTAHAHNIKVIIDFAPNHTSPASETDP
TYAENGRLYDNGTLLGGYTNDTNGYFHHYGGTDFSSYEDGIYRNLFDLAD
LNQQNSTIDSYLKSAIKVWLDMGIDGIRLDAVKHMPFGWQKNFMDSILSY
RPVFTFGEWFLGTNEIDVNNTYFANESGMSLLDFRFSQKVRQVFRDNTDT
MYGLDSMIQSTASDYNFINDMVTFIDNHDMDRFYNGGSTRPVEQALAFTL
TSRGVPAIYYGTEQYMTGNGDPYNRAMMTSFNTSTTAYNVIKKLAPLRKS
NPAIAYGTTQQRWINNDVYIYERKFGNNVALVAINRNLSTSYNITGLYTA
LPAGTYTDVLGGLLNGNSISVASDGSVTPFTLSAGEVAVWQYVSSSNSPL
IGHVGPTMTKAGQTITIDGRGFGTTSGQVLFGSTAGTIVSWDDTEVKVKV
PSVTPGKYNISLKTSSGATSNTYNNINILTGNQICVRFVVNNASTVYGEN
VYLTGNVAELGNWDTSKAIGPMFNQVVYQYPTWYYDVSVPAGTTIQFKFI
KKNGNTITWEGGSNHTYTVPSSSTGTVIVNWQQ
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 chain1ciu Chain A Residue 685 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB1ciu Crystal structure at 2.3 A resolution and revised nucleotide sequence of the thermostable cyclodextrin glycosyltransferase from Thermonanaerobacterium thermosulfurigenes EM1.
Resolution2.3 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) D136 R228 D230 E258 H328 D329
Catalytic site (residue number reindexed from 1) D136 R228 D230 E258 H328 D329
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:1ciu, PDBe:1ciu, PDBj:1ciu
PDBsum1ciu
PubMed8604143
UniProtP26827|CDGT_THETU Cyclomaltodextrin glucanotransferase (Gene Name=amyA)

[Back to BioLiP]