Structure of PDB 4c1t Chain A Binding Site BS01

Receptor Information
>4c1t 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 IDXYP
InChIInChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3+,4-,5-/m1/s1
InChIKeySRBFZHDQGSBBOR-KKQCNMDGSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1C(C(C(C(O1)O)O)O)O
CACTVS 3.341O[C@@H]1CO[C@@H](O)[C@H](O)[C@H]1O
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
ACDLabs 10.04OC1C(O)COC(O)C1O
FormulaC5 H10 O5
Namebeta-D-xylopyranose;
beta-D-xylose;
D-xylose;
xylose
ChEMBL
DrugBank
ZINCZINC000001529215
PDB chain4c1t Chain B Residue 1 [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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PDB4c1t Structural Basis for Arabinoxylo-Oligosaccharide Capture by the Probiotic Bifidobacterium Animalis Subsp. Lactis Bl-04
Resolution2.39 Å
Binding residue
(original residue number in PDB)		A40 S41 Q254 W277 F350
Binding residue
(residue number reindexed from 1)		A11 S12 Q225 W248 F321
Annotation score4
Binding affinityPDBbind-CN: -logKd/Ki=7.15,Kd=70.8nM
External links