Structure of PDB 7xr9 Chain A Binding Site BS01

Receptor Information
>7xr9 Chain A (length=344) Species: 498716 (human intestinal bacterium PUE) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GMSKLKIGIIGCGGIANQKHFPALKNNADLNEIVAEKAAAEFGEGAQVTA
DYKELLANPEVEVVHVCTPNVSHSEITIAAFEAGKHVYCEKPMSHSTEEA
EKMVEAWKKSGKQFTIGYQNRFREEVMNLKKSCDKGELGEIYYGKAHAVR
RRAVPTWGVFMDKEAQGGGPLIDIGTHALDITLWCMNNYDVDSVTGSVFY
KLGQKENGPEGNLFGPWDPKTFEVEDSAVGFVKMKNGATIGLEASWAINM
LDSREASTTLCGTEAGAEIHSGMSYPKNELIYNRARNNQLMEETLSEEGT
VDNRQWLEAIQNGTEPLVKPEEALAVTKILDAIYKSAKTNTIKF
Ligand information
Ligand IDBGC
InChIInChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1
InChIKeyWQZGKKKJIJFFOK-VFUOTHLCSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6C(C1C(C(C(C(O1)O)O)O)O)O
CACTVS 3.370OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O
CACTVS 3.370OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.7.6C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O
ACDLabs 12.01OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namebeta-D-glucopyranose;
beta-D-glucose;
D-glucose;
glucose
ChEMBLCHEMBL1614854
DrugBankDB02379
ZINCZINC000003833800
PDB chain7xr9 Chain A Residue 401 [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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PDB7xr9 Structural mechanism of a dual-functional enzyme DgpA/B/C as both a C -glycoside cleaving enzyme and an O - to C -glycoside isomerase.
Resolution2.42 Å
Binding residue
(original residue number in PDB)		K100 R159 W166 F169 D182 H186
Binding residue
(residue number reindexed from 1)		K91 R150 W157 F160 D173 H177
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding

View graph for
Molecular Function
External links
PDB RCSB:7xr9, PDBe:7xr9, PDBj:7xr9
PDBsum7xr9
PubMed36815035
UniProtA0A3Q9WWX8

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