Structure of PDB 1uks Chain B Binding Site BS03

Receptor Information
>1uks Chain B (length=686) Species: 1410 (Bacillus sp. 1011) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
APDTSVSNKQNFSTDVIYQIFTDRFSDGNPANNPTGAAFDGSCTNLRLYC
GGDWQGIINKINDGYLTGMGITAIWISQPVENIYSVINYSGVNNTAYHGY
WARDFKKTNPAYGTMQDFKNLIDTAHAHNIKVIIDFAPNHTSPASSDDPS
FAENGRLYDNGNLLGGYTNDTQNLFHHYGGTDLSTIENGIYKNLYDLADL
NHNNSSVDVYLKDAIKMWLDLGVDGIRVDAVKHMPFGWQKSFMATINNYK
PVFTFGEWLLGVNEISPEYHQFANESGMSLLDFRFAQKARQVFRDNTDNM
YGLKAMLEGSEVDYAQVNDQVTFIDNHDMERFHTSNGDRRKLEQALAFTL
TSRGVPAIYYGSEQYMSGGNDPDNRARLPSFSTTTTAYQVIQKLAPLRKS
NPAIAYGSTHERWINNDVIIYERKFGNNVAVVAINRNMNTPASITGLVTS
LPRGSYNDVLGGILNGNTLTVGAGGAASNFTLAPGGTAVWQYTTDATTPI
IGNVGPMMAKPGVTITIDGRGFGSGKGTVYFGTTAVTGADIVAWEDTQIQ
VKIPAVPGGIYDIRVANAAGAASNIYDNFEVLTGDQVTVRFVINNATTAL
GQNVFLTGNVSELGNWDPNNAIGPMYNQVVYQYPTWYYDVSVPAGQTIEF
KFLKKQGSTVTWEGGANRTFTTPTSGTATVNVNWQP
Ligand information
Ligand IDACI
InChIInChI=1S/C7H13NO4/c8-4-1-3(2-9)5(10)7(12)6(4)11/h1,4-7,9-12H,2,8H2/t4-,5+,6-,7-/m0/s1
InChIKeyXPHOBMULWMGEBA-VZFHVOOUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6C1=C([C@H]([C@@H]([C@H]([C@H]1N)O)O)O)CO
OpenEye OEToolkits 1.7.6C1=C(C(C(C(C1N)O)O)O)CO
CACTVS 3.370N[C@H]1C=C(CO)[C@@H](O)[C@H](O)[C@H]1O
CACTVS 3.370N[CH]1C=C(CO)[CH](O)[CH](O)[CH]1O
ACDLabs 12.01OC1C(N)C=C(C(O)C1O)CO
FormulaC7 H13 N O4
Name6-AMINO-4-HYDROXYMETHYL-CYCLOHEX-4-ENE-1,2,3-TRIOL
ChEMBLCHEMBL1230806
DrugBankDB02120
ZINCZINC000005413017
PDB chain1uks Chain B Residue 706 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1uks Effects of Essential Carbohydrate/Aromatic Stacking Interaction with Tyr100 and Phe259 on Substrate Binding of Cyclodextrin Glycosyltransferase from Alkalophilic Bacillus sp. 1011
Resolution1.9 Å
Binding residue
(original residue number in PDB)		Y89 W101 D196
Binding residue
(residue number reindexed from 1)		Y89 W101 D196
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:1uks, PDBe:1uks, PDBj:1uks
PDBsum1uks
PubMed14769878
UniProtP05618|CDGT_BACS0 Cyclomaltodextrin glucanotransferase (Gene Name=cgt)

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