Structure of PDB 3a23 Chain B Binding Site BS01

Receptor Information
>3a23 Chain B (length=612) Species: 33903 (Streptomyces avermitilis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TTRQITVPSAPMGWASWNSFAAKIDYSVIKKQVDAFVAAGLPAAGYTYIN
IDEGWWQGTRDSAGNITVDTAEWPGGMSAITAYIHSKGLKAGIYTDAGKD
GCGYYYPTGRPAAPGSGSEGHYDQDMLQFSTWGFDFVKVDWCGGDAEGLD
AATTYKSISDAVGRAAATTGRPLTLSICNWGYQNPWNWAAGQAPLWRTST
DIIYYGNQPSMTSLLSNFDQTLHPTAQHTGYYNDPDMLMVGMDGFTAAQN
RTHMNLWAISGAPLLAGNDLTTMTSETAGILKNPEVIAVDQDSRGLQGVK
VAEDTTGLQAYGKVLSGTGNRAVVLLNRTSAAHDITVRWSDLGLTNASAT
VRDLWARQNVGTSATGYTASVPAGGSVMLTVTGGTEAAGGAYAATSTGRY
TGVTAASTGLNVVDVAYTNNTSSARTATLQVNGQTATTVSFPPTGASAGT
VSVEVSLSKGSANTLALSGGPATEGITVRPLPGTNGALVTGKQSGRCADI
YNNTITNGTQAELWDCNGGPNQSWTYTSRKELVLYGNKCLDAYNLGTTNG
TKVVIWDCNGQANQKWNINSDGTITNVNAGLCLDAYNAATANGTSLVLWS
CGTGDNQKWTVT
Ligand information
Ligand IDGAL
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-FPRJBGLDSA-N
SMILES
SoftwareSMILES
CACTVS 3.370OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O
OpenEye OEToolkits 1.7.2C(C1C(C(C(C(O1)O)O)O)O)O
CACTVS 3.370OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
ACDLabs 12.01OC1C(O)C(OC(O)C1O)CO
OpenEye OEToolkits 1.7.2C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O
FormulaC6 H12 O6
Namebeta-D-galactopyranose;
beta-D-galactose;
D-galactose;
galactose
ChEMBLCHEMBL300520
DrugBank
ZINCZINC000002597049
PDB chain3a23 Chain B Residue 851 [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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PDB3a23 A beta-l-Arabinopyranosidase from Streptomyces avermitilis is a novel member of glycoside hydrolase family 27.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		W63 D98 E99 Y140 C148 K184 D186 C224 W226 R243 D247
Binding residue
(residue number reindexed from 1)		W17 D52 E53 Y94 C102 K138 D140 C178 W180 R197 D201
Annotation score5
Binding affinityMOAD: Ka=610M^-1
Enzymatic activity
Catalytic site (original residue number in PDB) D186 D247
Catalytic site (residue number reindexed from 1) D140 D201
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
GO:0016798 hydrolase activity, acting on glycosyl bonds
Biological Process
GO:0005975 carbohydrate metabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:3a23, PDBe:3a23, PDBj:3a23
PDBsum3a23
PubMed19608743
UniProtQ82L26

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