Structure of PDB 2c8n Chain B Binding Site BS01

Receptor Information
>2c8n Chain B (length=499) Species: 1515 (Acetivibrio thermocellus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KARMTVDKDYKIAEIDKRIYGSFVEHLGRAVYDGLYQPGNSKSDEDGFRK
DVIELVKELNVPIIRYPGGNFVSNYFWEDGVGPVEDRPRRLDLAWKSIEP
NQVGINEFAKWCKKVNAEIMMAVNLGTRGISDACNLLEYCNHPGGSKYSD
MRIKHGVKEPHNIKVWCLGNAMDGPWQVGHKTMDEYGRIAEETARAMKMI
DPSIELVACGSSSKDMPTFPQWEATVLDYAYDYVDYISLHQYYGNKENDT
ADFLAKSDDLDDFIRSVIATCDYIKAKKRSKKDIYLSFDEWNVWYHSNNE
DANIMQNEPWRIAPPLLEDIYTFEDALLVGLMLITLMKHADRIKIACLAQ
LINVIAPIVTERNGGAAWRQTIFYPFMHASKYGRGIVLQPVINSPLHDTS
KHEDVTDIESVAIYNEEKEEVTIFAVNRNIHEDIVLVSDVRGMKDYRLLE
HIVLEHQDLKIRNSVNGEEVYPKNSDKSSFDDGILSMLRRASWNVIRIG
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 H Residue 2 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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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 E292 Q352
Binding residue
(residue number reindexed from 1)		E25 G69 N70 E290 Q350
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) A173 E292
Catalytic site (residue number reindexed from 1) A171 E290
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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