Structure of PDB 1ua7 Chain A Binding Site BS04

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 IDG6D
InChIInChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3-,4+,5-,6+/m1/s1
InChIKeySHZGCJCMOBCMKK-DVKNGEFBSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01C1(C(O)C(O)C(O)C(O1)C)O
OpenEye OEToolkits 1.7.6CC1C(C(C(C(O1)O)O)O)O
OpenEye OEToolkits 1.7.6C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O
CACTVS 3.385C[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
CACTVS 3.385C[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O
FormulaC6 H12 O5
Namealpha-D-quinovopyranose;
alpha-D-quinovose;
6-deoxy-alpha-D-glucopyranose;
D-quinovose;
quinovose;
6-DEOXY-ALPHA-D-GLUCOSE
ChEMBL
DrugBankDB03773
ZINCZINC000002042980
PDB chain1ua7 Chain C Residue 2 [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)		A177 H180 E208
Binding residue
(residue number reindexed from 1)		A174 H177 E205
Annotation score4
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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