Structure of PDB 5xsj Chain X Binding Site BS01

Receptor Information
>5xsj Chain X (length=273) Species: 290402 (Clostridium beijerinckii NCIMB 8052) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PIKPKIVLISHIKTNPYWLDIKAGAERAAKERGAVVEFLGPTTASTEDGL
KLFDMATSAKVSGIITYVQEEGQYKKKINSAMEKGIPVVTIDSDEEDSNR
IAYVGTDNVLAGQVAGKEMVKQIGTSGNVAIVMGGKNVKNQKERVEGFTQ
YIKSNSNLKIVDTDSSDAMLLEAEIITRKILNRNDNINALFCTSALDGIG
AARAVKDLNYKDRVKIICFDDLDDTLSNIRNGLVSATIVQKSNEMGYRAV
NIIMDKIEGKSLIDVNVINKSDV
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 chain5xsj Chain X Residue 500 [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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PDB5xsj Molecular mechanism of environmental d-xylose perception by a XylFII-LytS complex in bacteria
Resolution2.202 Å
Binding residue
(original residue number in PDB)		H22 Y28 W29 D103 R155 S205 A206 D231 Q251
Binding residue
(residue number reindexed from 1)		H11 Y17 W18 D92 R144 S194 A195 D220 Q240
Annotation score4
Binding affinityMOAD: Kd=368nM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0030246 carbohydrate binding

View graph for
Molecular Function
External links
PDB RCSB:5xsj, PDBe:5xsj, PDBj:5xsj
PDBsum5xsj
PubMed28716923
UniProtA6LW07

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