Structure of PDB 1ua7 Chain A Binding Site BS06

Receptor Information
>1ua7 Chain A (length=422) Species: 1423 (Bacillus subtilis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PSIKSGTILHAWNWSFNTLKHNMKDIHDAGYTAIQTSPINQVKEGNQGDK
SMSNWYWLYQPTSYQIGNRYLGTEQEFKEMCAAAEEYGIKVIVDAVINHT
TFDYAAISNEVKSIPNWTHGNTQIKNWSDRWDVTQNSLLGLYDWNTQNTQ
VQSYLKRFLERALNDGADGFRFDAAKHIELPDDGSYGSQFWPNITNTSAE
FQYGEILQDSASRDAAYANYMDVTASNYGHSIRSALKNRNLGVSNISHYA
SDVSADKLVTWVESHDTYANDDEESTWMSDDDIRLGWAVIASRSGSTPLF
FSRPEGGGNGVRFPGKSQIGDRGSALFEDQAITAVNRFHNVMAGQPEELS
NPQGNNQIFMNQRGSHGVVLANAGSSSVSINTATKLPDGRYDNKAGAGSF
QVNDGKLTGTINARSVAVLYPD
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 chain1ua7 Chain A Residue 504 [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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PDB1ua7 Crystal structure of Bacillus subtilis alpha-amylase in complex with acarbose
Resolution2.21 Å
Binding residue
(original residue number in PDB)		Y62 H102 D176 E208 H268 D269
Binding residue
(residue number reindexed from 1)		Y59 H99 D173 E205 H265 D266
Annotation score1
Enzymatic activity
Enzyme Commision number 3.2.1.1: alpha-amylase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0004556 alpha-amylase activity
GO:0043169 cation binding
Biological Process
GO:0005975 carbohydrate metabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:1ua7, PDBe:1ua7, PDBj:1ua7
PDBsum1ua7
PubMed14617662
UniProtP00691|AMY_BACSU Alpha-amylase (Gene Name=amyE)

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