Structure of PDB 3akg Chain A Binding Site BS02

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 A Residue 551 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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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)		N159 V194 E196
Binding residue
(residue number reindexed from 1)		N151 V186 E188
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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