Structure of PDB 6x95 Chain A Binding Site BS01

Receptor Information
>6x95 Chain A (length=182) Species: 178399 (Marinomonas primoryensis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PDSLFAGLVGEYYGTNSQLNNISDFRALVDSKEADATFEAANISYGRGSS
DVAKGTHLQEFLGSDASTLSTDPGDNTDGGIYLQGYVYLEAGTYNFKVTA
DDGYEITINGNPVATVDNNQSVYTVTHASFTISESGYQAIDMIWWDQGGD
YVFQPTLSADGGSTYFVLDSAILSSTGETPYT
Ligand information
Ligand IDZ61
InChIInChI=1S/C6H12O5/c7-2-4-6(10)3(8)1-5(9)11-4/h3-10H,1-2H2/t3-,4-,5+,6+/m1/s1
InChIKeyPMMURAAUARKVCB-ZXXMMSQZSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6C1C(C(C(OC1O)CO)O)O
OpenEye OEToolkits 1.7.6C1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O
ACDLabs 12.01OC1C(OC(O)CC1O)CO
CACTVS 3.370OC[CH]1O[CH](O)C[CH](O)[CH]1O
CACTVS 3.370OC[C@H]1O[C@H](O)C[C@@H](O)[C@@H]1O
FormulaC6 H12 O5
Name2-deoxy-alpha-D-arabino-hexopyranose;
2-deoxy-alpha-D-glucopyranose;
2-deoxy-alpha-D-mannopyranose
ChEMBLCHEMBL4303562
DrugBank
ZINCZINC000003860328
PDB chain6x95 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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PDB6x95 Structural Basis of Ligand Selectivity by a Bacterial Adhesin Lectin Involved in Multispecies Biofilm Formation.
Resolution1.1 Å
Binding residue
(original residue number in PDB)		D110 D111 Q129 Q156 G157 D159
Binding residue
(residue number reindexed from 1)		D101 D102 Q120 Q147 G148 D150
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links