Structure of PDB 2c8n Chain D Binding Site BS01

Receptor Information
>2c8n Chain D (length=496) Species: 1515 (Acetivibrio thermocellus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ARMTVDKDYKIAEIDKRIYGSFVEHLGRAVYDGLYQPGNSKSDEDGFRKD
VIELVKELNVPIIRYPGGNFVSNYFWEDGVGPVEDRPRRLDLAWKSIEPN
QVGINEFAKWCKKVNAEIMMAVNLGTRGISDACNLLEYCNHPGGSKYSDM
RIKHGVKEPHNIKVWCLGNAMDGPWQVGHKTMDEYGRIAEETARAMKMID
PSIELVACGSSSKDMPTFPQWEATVLDYAYDYVDYISLHQYYGNKENDTA
DFLAKSDDLDDFIRSVIATCDYIKAKKRSKKDIYLSFDEWNVWYHSNNED
ANIQNEPWRIAPPLLEDIYTFEDALLVGLMLITLMKHADRIKIACLAQLI
NVIAPIVTERNGGAAWRQTIFYPFMHASKYGRGIVLQPVINSPLHDTSKH
EDVTDIESVAIYNEEEEVTIFAVNRNIHEDIVLVSDVRGMKDYRLLEHIV
LEHQDLKIRNSVNGEEVYPKNSDKSSFDDGITSMLRRASWNVIRIG
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 chain2c8n Chain J 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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PDB2c8n Structural Insight Into the Ligand Specificity of a Thermostable Family 51 Arabinofuranosidase, Araf51, from Clostridium Thermocellum.
Resolution2.9 Å
Binding residue
(original residue number in PDB)		E27 G71 N72 Y244 E292 W296 Q352
Binding residue
(residue number reindexed from 1)		E24 G68 N69 Y241 E289 W293 Q348
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) A173 E292
Catalytic site (residue number reindexed from 1) A170 E289
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

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2c8n, PDBe:2c8n, PDBj:2c8n
PDBsum2c8n
PubMed16336192
UniProtA3DIH0|IABF_ACET2 Intracellular exo-alpha-(1->5)-L-arabinofuranosidase (Gene Name=Cthe_2548)

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