Structure of PDB 4c1u Chain A Binding Site BS03

Receptor Information
>4c1u Chain A (length=396) Species: 580050 (Bifidobacterium animalis subsp. lactis Bl-04) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DDKTITFWHNASAGEGRQYWENLAKSFEEANPGTKVEIQAIQNEDFAGKL
QTAMQDPASGPDVFMSLGGAKTKEMIDAGQVMDLTDKISDTVKTDMKTTL
SAATFDGKVYGVPVSVEPGGMWYSKDLFKKAGVSDVPATYEELLADAKKL
KDSGTDAIALGAKDAWPAAHWYYWLVLRECSPEVYDKSVQDHDFSNACWV
NAGKKLQELKDLKVFNDGFLTTTAQQGANSSAGLLANHKAAMELMGAWEP
GVLKDLTPDQKPMADLGFFAFPEVAGGEGEPGALMGGVTYFCVNPKASQT
SIDFVNYMGEKKNQEDYAKAFSTIPASEPARAVVTDESLKQVIEYLDKAP
SMQLWMDTALGTNIGNALNAAVVNMLSGQGSPEDIVKAMQDAAQKG
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 chain4c1u Chain B Residue 3 [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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PDB4c1u Structural Basis for Arabinoxylo-Oligosaccharide Capture by the Probiotic Bifidobacterium Animalis Subsp. Lactis Bl-04
Resolution2.0 Å
Binding residue
(original residue number in PDB)		N39 S144 E146 T318 Y346
Binding residue
(residue number reindexed from 1)		N10 S115 E117 T289 Y317
Annotation score4
Binding affinityPDBbind-CN: -logKd/Ki=7.09,Kd=81nM
External links