Structure of PDB 3a22 Chain A Binding Site BS03

Receptor Information
>3a22 Chain A (length=614) Species: 33903 (Streptomyces avermitilis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AVTTRQITVPSAPMGWASWNSFAAKIDYSVIKKQVDAFVAAGLPAAGYTY
INIDEGWWQGTRDSAGNITVDTAEWPGGMSAITAYIHSKGLKAGIYTDAG
KDGCGYYYPTGRPAAPGSGSEGHYDQDMLQFSTWGFDFVKVDWCGGDAEG
LDAATTYKSISDAVGRAAATTGRPLTLSICNWGYQNPWNWAAGQAPLWRT
STDIIYYGNQPSMTSLLSNFDQTLHPTAQHTGYYNDPDMLMVGMDGFTAA
QNRTHMNLWAISGAPLLAGNDLTTMTSETAGILKNPEVIAVDQDSRGLQG
VKVAEDTTGLQAYGKVLSGTGNRAVVLLNRTSAAHDITVRWSDLGLTNAS
ATVRDLWARQNVGTSATGYTASVPAGGSVMLTVTGGTEAAGGAYAATSTG
RYTGVTAASTGLNVVDVAYTNNTSSARTATLQVNGQTATTVSFPPTGASA
GTVSVEVSLSKGSANTLALSGGPATEGITVRPLPGTNGALVTGKQSGRCA
DIYNNTITNGTQAELWDCNGGPNQSWTYTSRKELVLYGNKCLDAYNLGTT
NGTKVVIWDCNGQANQKWNINSDGTITNVNAGLCLDAYNAATANGTSLVL
WSCGTGDNQKWTVT
Ligand information
Ligand IDARA
InChIInChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3-,4+,5+/m0/s1
InChIKeySRBFZHDQGSBBOR-QMKXCQHVSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1C(C(C(C(O1)O)O)O)O
OpenEye OEToolkits 1.5.0C1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O
CACTVS 3.341O[C@H]1CO[C@@H](O)[C@H](O)[C@H]1O
CACTVS 3.341O[CH]1CO[CH](O)[CH](O)[CH]1O
ACDLabs 10.04OC1C(O)COC(O)C1O
FormulaC5 H10 O5
Namealpha-L-arabinopyranose;
alpha-L-arabinose;
L-arabinose;
arabinose
ChEMBLCHEMBL505348
DrugBank
ZINCZINC000001532575
PDB chain3a22 Chain A Residue 721 [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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PDB3a22 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)		D587 Y589 N590 W602 N605 Q607 N609
Binding residue
(residue number reindexed from 1)		D543 Y545 N546 W558 N561 Q563 N565
Annotation score1
Binding affinityMOAD: Ka=150M^-1
Enzymatic activity
Catalytic site (original residue number in PDB) D186 D247
Catalytic site (residue number reindexed from 1) D142 D203
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

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Molecular Function
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Biological Process
External links
PDB RCSB:3a22, PDBe:3a22, PDBj:3a22
PDBsum3a22
PubMed19608743
UniProtQ82L26

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