Structure of PDB 1i75 Chain A Binding Site BS03

Receptor Information
>1i75 Chain A (length=686) Species: 1409 (Bacillus sp. (in: firmicutes)) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
APDTSVSNKQNFSTDVIYQIFTDRFSDGNPANNPTGAAFDGSCTNLRLYC
GGDWQGIINKINDGYLTGMGITAIWISQPVENIYSVINYSGVNNTAYHGY
WARDFKKTNPAYGTMQDFKNLIDTAHAHNIKVIIDFAPNHTSPASSDDPS
FAENGRLYDNGNLLGGYTNDTQNLFHHYGGTDFSTIENGIYKNLYDLADL
NHNNSSVDVYLKDAIKMWLDLGVDGIRVDAVKHMPFGWQKSFMATINNYK
PVFTFGEWFLGVNEISPEYHQFANESGMSLLDFRFAQKARQVFRDNTDNM
YGLKAMLEGSEVDYAQVNDQVTFIDNHDMERFHTSNGDRRKLEQALAFTL
TSRGVPAIYYGSEQYMSGGNDPDNRARLPSFSTTTTAYQVIQKLAPLRKS
NPAIAYGSTHERWINNDVIIYERKFGNNVAVVAINRNMNTPASITGLVTS
LPRGSYNDVLGGILNGNTLTVGAGGAASNFTLAPGGTAVWQYTTDATTPI
IGNVGPMMAKPGVTITIDGRGFGSGKGTVYFGTTAVTGADIVAWEDTQIQ
VKIPAVPGGIYDIRVANAAGAASNIYDNFEVLTGDQVTVRFVINNATTAL
GQNVFLTGNVSELGNWDPNNAIGPMYNQVVYQYPTWYYDVSVPAGQTIEF
KFLKKQGSTVTWEGGANRTFTTPTSGTATVNVNWQP
Ligand information
Ligand IDNOJ
InChIInChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5-,6-/m1/s1
InChIKeyLXBIFEVIBLOUGU-JGWLITMVSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01OC1C(NCC(O)C1O)CO
OpenEye OEToolkits 1.7.0C1C(C(C(C(N1)CO)O)O)O
OpenEye OEToolkits 1.7.0C1[C@@H]([C@H]([C@@H]([C@H](N1)CO)O)O)O
CACTVS 3.370OC[CH]1NC[CH](O)[CH](O)[CH]1O
CACTVS 3.370OC[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O
FormulaC6 H13 N O4
Name1-DEOXYNOJIRIMYCIN;
MORANOLINE
ChEMBLCHEMBL307429
DrugBankDB03206
ZINCZINC000003794714
PDB chain1i75 Chain A Residue 2691 [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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PDB1i75 Crystal structure of cyclodextrin glucanotransferase from alkalophilic Bacillus sp. 1011 complexed with 1-deoxynojirimycin at 2.0 A resolution.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		Y100 L194 D229
Binding residue
(residue number reindexed from 1)		Y100 L194 D229
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D135 R227 D229 E257 H327 D328
Catalytic site (residue number reindexed from 1) D135 R227 D229 E257 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

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1i75, PDBe:1i75, PDBj:1i75
PDBsum1i75
PubMed11275559
UniProtP05618|CDGT_BACS0 Cyclomaltodextrin glucanotransferase (Gene Name=cgt)

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