Structure of PDB 6xa5 Chain A Binding Site BS01

Receptor Information
>6xa5 Chain A (length=187) Species: 178399 (Marinomonas primoryensis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AQDDSTPDSLFAGLVGEYYGTNSQLNNISDFRALVDSKEADATFEAANIS
YGRGSSDVAKGTHLQEFLGSDASTLSTDPGDNTDGGIYLQGYVYLEAGTY
NFKVTADDGYEITINGNPVATVDNNQSVYTVTHASFTISESGYQAIDMIW
WDQGGDYVFQPTLSADGGSTYFVLDSAILSSTGETPY
Ligand information
Ligand IDGLC
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-DVKNGEFBSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(O1)O)O)O)O)O
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O
CACTVS 3.341OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
CACTVS 3.341OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O
ACDLabs 10.04OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namealpha-D-glucopyranose;
alpha-D-glucose;
D-glucose;
glucose
ChEMBLCHEMBL423707
DrugBank
ZINCZINC000003861213
PDB chain6xa5 Chain B Residue 2 [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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PDB6xa5 Structural Basis of Ligand Selectivity by a Bacterial Adhesin Lectin Involved in Multispecies Biofilm Formation.
Resolution1.03 Å
Binding residue
(original residue number in PDB)		D110 D111 Q129 Q156 G157 D159
Binding residue
(residue number reindexed from 1)		D107 D108 Q126 Q153 G154 D156
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links