Structure of PDB 3lrm Chain B Binding Site BS02

Receptor Information
>3lrm Chain B (length=452) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VSPSYNGLGLTPQMGWDNWNTFACDVSEQLLLDTADRISDLGLKDMGYKY
IILDDCWSSGRDSDGFLVADEQKFPNGMGHVADHLHNNSFLFGMYSSAGE
YTCAGYPGSLGREEEDAQFFANNRVDYLKYANCYNKGQFGTPEISYHRYK
AMSDALNKTGRPVFYSLCNWGQDLTFYWGSGIANSWRMSGDVTAEFTRPD
SRCPCDGDEYDCKYAGFHCSIMNILNKAAPMGQNAGVGGWNDLDNLEVGV
GNLTDDEEKAHFSMWAMVKSPLIIGANVNNLKASSYSIYSQASVIAINQD
SNGIPATRVWRYYVSDTDEYGQGEIQMWSGPLDNGDQVVALLNGGSVSRP
MNTTLEEIFFDSNLGSKKLTSTWDIYDLWANRVDNSTASAILGRNKTATG
ILYNATEQSYKDGLSKNDTRLFGQKIGSLSPNAILNTTVPAHGIAFYRLR
PS
Ligand information
Ligand IDFRU
InChIInChI=1S/C6H12O6/c7-1-3-4(9)5(10)6(11,2-8)12-3/h3-5,7-11H,1-2H2/t3-,4-,5+,6-/m1/s1
InChIKeyRFSUNEUAIZKAJO-ARQDHWQXSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04OC1C(O)C(OC1(O)CO)CO
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)O
CACTVS 3.341OC[CH]1O[C](O)(CO)[CH](O)[CH]1O
OpenEye OEToolkits 1.5.0C(C1C(C(C(O1)(CO)O)O)O)O
CACTVS 3.341OC[C@H]1O[C@](O)(CO)[C@@H](O)[C@@H]1O
FormulaC6 H12 O6
Namebeta-D-fructofuranose;
beta-D-fructose;
D-fructose;
fructose
ChEMBLCHEMBL604608
DrugBank
ZINCZINC000001529270
PDB chain3lrm Chain L 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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PDB3lrm Structural analysis of Saccharomyces cerevisiae alpha-galactosidase and its complexes with natural substrates reveals new insights into substrate specificity of GH27 glycosidases.
Resolution2.7 Å
Binding residue
(original residue number in PDB)		W37 C121
Binding residue
(residue number reindexed from 1)		W19 C103
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) A149 D209
Catalytic site (residue number reindexed from 1) A131 D191
Enzyme Commision number 3.2.1.22: alpha-galactosidase.
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0004557 alpha-galactosidase activity
Biological Process
GO:0005975 carbohydrate metabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:3lrm, PDBe:3lrm, PDBj:3lrm
PDBsum3lrm
PubMed20592022
UniProtP04824|MEL1_YEASX Alpha-galactosidase 1 (Gene Name=MEL1)

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