Structure of PDB 5o80 Chain B Binding Site BS01

Receptor Information
>5o80 Chain B (length=496) Species: 209285 (Thermochaetoides thermophila) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KKARMTVDKDYKIAEIDKRIYGSFVEHLGRAVYDGLYQPGNSKSDEDGFR
KDVIELVKELNVPIIAYPGGNFVSNYFWEDGVGPVEDRPRRLDLAWKSIE
PNQVGINEFAKWCKKVNAEIMMAVNLGTRGISDACNLLEYCNHPGGSKYS
DMRIKHGVKEPHNIKVWCLGNEMDGPWQVGHKTMDEYGRIAEETARAMKM
IDPSIELVACGSSSKDMPTFPQWEATVLDYAYDYVDYISLHQYYGNKEND
TADFLAKSDDLDDFIRSVIATCDYIKAKKRSKKDIYLSFDEWNVWYHSNN
EDANIMQNEPWRIAPPLLEDIYTFEDALLVGLMLITLMKHADRIKIACLA
QLINVIAPIVTERNGGAAWRQTIFYPFMHASKYGRGIVLQPVINSPLHDT
SKHEDVTDIESVAIYNEEKEEVTIFAVNRNIHEDIVLVSDVRGMRLLEHI
VLEHQDLKIRNSVNGEEVYPKNSDKFDDGILTSMLRRASWNVIRIG
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 chain5o80 Chain B Residue 600 [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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PDB5o80 To be announced
Resolution2.915 Å
Binding residue
(original residue number in PDB)		F25 E27 N72 E173 Y244 E292 Q352
Binding residue
(residue number reindexed from 1)		F24 E26 N71 E172 Y243 E291 Q351
Annotation score4
Enzymatic activity
Enzyme Commision number 3.2.1.55: non-reducing end alpha-L-arabinofuranosidase.
Gene Ontology
Molecular Function
GO:0016798 hydrolase activity, acting on glycosyl bonds
GO:0046556 alpha-L-arabinofuranosidase activity
Biological Process
GO:0000272 polysaccharide catabolic process
GO:0031222 arabinan catabolic process
GO:0046373 L-arabinose metabolic process
Cellular Component
GO:0005737 cytoplasm

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:5o80, PDBe:5o80, PDBj:5o80
PDBsum5o80
PubMed
UniProtA3DIH0|IABF_ACET2 Intracellular exo-alpha-(1->5)-L-arabinofuranosidase (Gene Name=Cthe_2548)

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