Structure of PDB 2x7x Chain A Binding Site BS01

Receptor Information
>2x7x Chain A (length=301) Species: 226186 (Bacteroides thetaiotaomicron VPI-5482) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HFRIGVAQCSDDSWRHKMNDEILREAMFYNGVSVEIRSAGDDNSKQAEDV
HYFMDEGVDLLIISANEAAPMTPIVEEAYQKGIPVILVDRKILSDKYTAY
IGADNYEIGRSVGNYIASSLKGKGNIVELTGLSGSTPAMERHQGFMAAIS
KFPDIKLIDKADAAWERGPAEIEMDSMLRRHPKIDAVYAHNDRIAPGAYQ
AAKMAGREKEMIFVGIDALPGKGNGLELVLDSVLDATFIYPTNGDKVLQL
AMDILEKKPYPKETVMNTAVVDRTNAHVMQLQTTHISELDKKIETLNGRI
G
Ligand information
Ligand IDFRU
InChIInChI=1S/C6H12O6/c7-1-3-4(9)5(10)6(11,2-8)12-3/h3-5,7-11H,1-2H2/t3-,4-,5+,6-/m1/s1
InChIKeyRFSUNEUAIZKAJO-ARQDHWQXSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04OC1C(O)C(OC1(O)CO)CO
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)O
CACTVS 3.341OC[CH]1O[C](O)(CO)[CH](O)[CH]1O
OpenEye OEToolkits 1.5.0C(C1C(C(C(O1)(CO)O)O)O)O
CACTVS 3.341OC[C@H]1O[C@](O)(CO)[C@@H](O)[C@@H]1O
FormulaC6 H12 O6
Namebeta-D-fructofuranose;
beta-D-fructose;
D-fructose;
fructose
ChEMBLCHEMBL604608
DrugBank
ZINCZINC000001529270
PDB chain2x7x Chain A Residue 1335 [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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PDB2x7x Specificity of Polysaccharide Use in Intestinal Bacteroides Species Determines Diet-Induced Microbiota Alterations.
Resolution2.64 Å
Binding residue
(original residue number in PDB)		D43 W45 R46 D120 R121 P168 R172 W196 N222 R224 D248
Binding residue
(residue number reindexed from 1)		D12 W14 R15 D89 R90 P137 R141 W165 N191 R193 D217
Annotation score4
Enzymatic activity
Enzyme Commision number 2.7.13.3: histidine kinase.
External links