Structure of PDB 3tb6 Chain A Binding Site BS01

Receptor Information
>3tb6 Chain A (length=283) Species: 1423 (Bacillus subtilis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NKTIGVLTTYISDYIFPSIIRGIESYLSEQGYSMLLTSTNNNPDNERRGL
ENLLSQHIDGLIVEPTKSALQTPNIGYYLNLEKNGIPFAMINASYAELAA
PSFTLDDVKGGMMAAEHLLSLGHTHMMGIFKADDTQGVKRMNGFIQAHRE
RELFPSPDMIVTFTTEEKESKLLEKVKATLEKNSKHMPTAILCYNDEIAL
KVIDMLREMDLKVPEDMSIVGYDDSHFAQISEVKLTSVKHPKSVLGKAAA
KYVIDCLEHKKPKQEDVIFEPELIIRQSARKLN
Ligand information
Ligand IDARB
InChIInChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3-,4+,5-/m0/s1
InChIKeySRBFZHDQGSBBOR-KLVWXMOXSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1C(C(C(C(O1)O)O)O)O
OpenEye OEToolkits 1.5.0C1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O
CACTVS 3.341O[CH]1CO[CH](O)[CH](O)[CH]1O
CACTVS 3.341O[C@H]1CO[C@H](O)[C@H](O)[C@H]1O
ACDLabs 10.04OC1C(O)COC(O)C1O
FormulaC5 H10 O5
Namebeta-L-arabinopyranose;
beta-L-arabinose;
L-arabinose;
arabinose
ChEMBL
DrugBankDB03246
ZINCZINC000003860202
PDB chain3tb6 Chain A Residue 400 [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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PDB3tb6 Structure of the effector-binding domain of the arabinose repressor AraR from Bacillus subtilis.
Resolution2.21 Å
Binding residue
(original residue number in PDB)		Y92 N170 Q214 R218 N273 D301
Binding residue
(residue number reindexed from 1)		Y14 N92 Q136 R140 N195 D223
Annotation score4
Binding affinityPDBbind-CN: -logKd/Ki=5.08,Kd=8.4uM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0006355 regulation of DNA-templated transcription

View graph for
Biological Process
External links
PDB RCSB:3tb6, PDBe:3tb6, PDBj:3tb6
PDBsum3tb6
PubMed22281747
UniProtP96711|ARAR_BACSU Arabinose metabolism transcriptional repressor (Gene Name=araR)

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