Structure of PDB 3akg Chain A Binding Site BS01

Receptor Information
>3akg Chain A (length=447) Species: 227882 (Streptomyces avermitilis MA-4680 = NBRC 14893) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TFTNPLAEKRADPHIFKHTDGYYYFTATVPEYDRIVLRRATTLQGLATAP
ETTIWTKHASGVMGAHIWAPEIHFIDGKWYVYFAAGSTSDVWAIRMYVLE
SGAANPLTGSWTEKGQIATPVSSFSLDATTFVVNGVRHLAWAQRNPAEDN
NTSLFIAKMANPWTISGTPTEISQPTLSWETVGYKVNEGPAVIQHGGKVF
LTYSASATDANYCLGMLSASASADLLNAASWTKSSQPVFKTSEATGQYGP
GHNSFTVSEDGKSDILVYHDRNYKDISGDPLNDPNRRTRLQKVYWNADGT
PNFGIPVADGVTPVRFSSYNYPDRYIRHWDFRARIEANVTNLADSQFRVV
TGLAGSGTISLESANYPGYYLRHKNYEVWVEKNDGSSAFKNDASFSRRAG
LADSADGIAFESYNYPGRYLRHYENLLRIQPVSTALDRQDATFYAEK
Ligand information
Ligand IDAHR
InChIInChI=1S/C5H10O5/c6-1-2-3(7)4(8)5(9)10-2/h2-9H,1H2/t2-,3-,4+,5+/m0/s1
InChIKeyHMFHBZSHGGEWLO-QMKXCQHVSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C([C@H]1[C@@H]([C@H]([C@@H](O1)O)O)O)O
OpenEye OEToolkits 1.5.0C(C1C(C(C(O1)O)O)O)O
CACTVS 3.341OC[CH]1O[CH](O)[CH](O)[CH]1O
CACTVS 3.341OC[C@@H]1O[C@@H](O)[C@H](O)[C@H]1O
ACDLabs 10.04OC1C(OC(O)C1O)CO
FormulaC5 H10 O5
Namealpha-L-arabinofuranose;
alpha-L-arabinose;
L-arabinose;
arabinose
ChEMBL
DrugBankDB03142
ZINCZINC000002569310
PDB chain3akg Chain B 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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PDB3akg Crystal Structure of an Exo-1,5-{alpha}-L-arabinofuranosidase from Streptomyces avermitilis Provides Insights into the Mechanism of Substrate Discrimination between Exo- and Endo-type Enzymes in Glycoside Hydrolase Family 43.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		H336 W337 D338 F339 D352
Binding residue
(residue number reindexed from 1)		H328 W329 D330 F331 D344
Annotation score4
Enzymatic activity
Enzyme Commision number 3.2.1.55: non-reducing end alpha-L-arabinofuranosidase.
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0016798 hydrolase activity, acting on glycosyl bonds
GO:0046556 alpha-L-arabinofuranosidase activity
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0031222 arabinan catabolic process
GO:0046373 L-arabinose metabolic process
Cellular Component
GO:0005576 extracellular region

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:3akg, PDBe:3akg, PDBj:3akg
PDBsum3akg
PubMed20739278
UniProtQ82P90|IABF_STRAW Extracellular exo-alpha-(1->5)-L-arabinofuranosidase (Gene Name=Araf43A)

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