Structure of PDB 6xac Chain A Binding Site BS01

Receptor Information
>6xac Chain A (length=184) Species: 178399 (Marinomonas primoryensis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DSTPDSLFAGLVGEYYGTNSQLNNISDFRALVDSKEADATFEAANISYGR
GSSDVAKGTHLQEFLGSDASTLSTDPGDNTDGGIYLQGYVYLEAGTYNFK
VTADDGYEITINGNPVATVDNNQSVYTVTHASFTISESGYQAIDMIWWDQ
GGDYVFQPTLSADGGSTYFVLDSAILSSTGETPY
Ligand information
Ligand IDGAL
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-FPRJBGLDSA-N
SMILES
SoftwareSMILES
CACTVS 3.370OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O
OpenEye OEToolkits 1.7.2C(C1C(C(C(C(O1)O)O)O)O)O
CACTVS 3.370OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
ACDLabs 12.01OC1C(O)C(OC(O)C1O)CO
OpenEye OEToolkits 1.7.2C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O
FormulaC6 H12 O6
Namebeta-D-galactopyranose;
beta-D-galactose;
D-galactose;
galactose
ChEMBLCHEMBL300520
DrugBank
ZINCZINC000002597049
PDB chain6xac Chain A Residue 201 [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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PDB6xac Structural Basis of Ligand Selectivity by a Bacterial Adhesin Lectin Involved in Multispecies Biofilm Formation.
Resolution1.22 Å
Binding residue
(original residue number in PDB)		D110 D111 Q129 Q156 G157 D159
Binding residue
(residue number reindexed from 1)		D104 D105 Q123 Q150 G151 D153
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links