Structure of PDB 3a22 Chain A Binding Site BS02

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 711 [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)		D545 Y547 N548 W560 N563 N567
Binding residue
(residue number reindexed from 1)		D501 Y503 N504 W516 N519 N523
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
View graph for
Biological Process
External links
PDB RCSB:3a22, PDBe:3a22, PDBj:3a22
PDBsum3a22
PubMed19608743
UniProtQ82L26

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