Structure of PDB 8cqf Chain A Binding Site BS07

Receptor Information
>8cqf Chain A (length=448) Species: 228 (Pseudoalteromonas haloplanktis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HPTTFVHLFEWNWQDVAQECEQYLGPKGYAAVQVSPPNEHITGSQWWTRY
QPVSYELQSRGGNRAQFIDMVNRCSAVGVDIYVDTLINHMAAGSGTGTAG
NSFGNKSFPIYSPQDFHESCTINNSDYGNDRYRVQNCELVGLADLDTASN
YVQNTIAAYINDLQAIGVKGFRFDASKHVAASDIQSLMAKVNGSPVVFQE
VIDLGGEAIKSSEYLSTGLVTEFKYGAKLGTVFRNGSLAWLSNFGEGWGF
MPSSSAVVFVDNHDNQRGHGGSSILTFEDGRLYDLANVFMLAYPYGYPRV
MSSYDFHGNDWAGGPNVPVHNNGNLECFASNWKCEHRWSYIAGGVDFRNN
TADNWAVTNWWDNTNNQISFGRGSSGHMAINKEDSTLTATVQTDMASGQY
CNVLKGELSADAKSCSGEVITVNSDGTINLNIGAWDAMAIHKNAKLGA
Ligand information
Ligand IDGLC
InChIInChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1
InChIKeyWQZGKKKJIJFFOK-DVKNGEFBSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(O1)O)O)O)O)O
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O
CACTVS 3.341OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
CACTVS 3.341OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O
ACDLabs 10.04OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namealpha-D-glucopyranose;
alpha-D-glucose;
D-glucose;
glucose
ChEMBLCHEMBL423707
DrugBank
ZINCZINC000003861213
PDB chain8cqf Chain E Residue 3 [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]
PDB8cqf Computational design of the temperature optimum of an enzyme reaction.
Resolution2.05 Å
Binding residue
(original residue number in PDB)		W46 W47 Q51
Binding residue
(residue number reindexed from 1)		W46 W47 Q51
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:8cqf, PDBe:8cqf, PDBj:8cqf
PDBsum8cqf
PubMed37379391
UniProtP29957|AMY_PSEHA Alpha-amylase (Gene Name=amy)

[Back to BioLiP]