Structure of PDB 5m4a Chain A Binding Site BS01

Receptor Information
>5m4a Chain A (length=548) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NPVNRLSRLINTQFWNSLTRRVDLNNVGEIAKDTKIDTPGAKNPRIYVPY
DCPEQYEFYVQASQMHPSLKLEVEYLPKKITAEYVKSVNDTPGLLALAME
EHFNPSTGEKTLIGYPYAVPGGRFNELYGWDSYMMALGLLEANKTDVARG
MVEHFIFEINHYGKILNANRSYYLCRSQPPFLTEMALVVFKKLGGRSNPD
AVDLLKRAFQASIKEYKTVWTASPRLDPETGLSRYHPNGLGIPPETESDH
FDTVLLPYASKHGVTLDEFKQLYNDGKIKEPKLDEFFLHDRGVRESGHDT
TYRFEGVCAYLATIDLNSLLYKYEIDIADFIKEFCDDKYEDPLDHSITTS
AMWKEMAKIRQEKITKYMWDDESGFFFDYNTKIKHRTSYESATTFWALWA
GLATKEQAQKMVEKALPKLEMLGGLAACTERSRIRQWDYPFGWAPHQILA
WEGLRSYGYLTVTNRLAYRWLFMMTKAFVDYNGIVVEKYDVTRGTDPAAT
EGFGWVNASYILGLKYMNSHARRALGACIPPISFFSSLRPQERNLYGL
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 chain5m4a Chain B Residue 1 [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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PDB5m4a Molecular basis of the 14-3-3 protein-dependent activation of yeast neutral trehalase Nth1.
Resolution2.9 Å
Binding residue
(original residue number in PDB)		N346 R473
Binding residue
(residue number reindexed from 1)		N167 R294
Annotation score5
Enzymatic activity
Enzyme Commision number 3.2.1.28: alpha,alpha-trehalase.
Gene Ontology
Molecular Function
GO:0004555 alpha,alpha-trehalase activity
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0005991 trehalose metabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:5m4a, PDBe:5m4a, PDBj:5m4a
PDBsum5m4a
PubMed29087344
UniProtP32356|TREA_YEAST Cytosolic neutral trehalase (Gene Name=NTH1)

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