Structure of PDB 6yo3 Chain A Binding Site BS02

Receptor Information
>6yo3 Chain A (length=121) Species: 208964 (Pseudomonas aeruginosa PAO1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AWKGEVLANNEAGQVTSIIYNPGDVITIVAAGWASYGPTQKWGPQGDREH
PDQGLICHDAFCGALVMKIGNSGTIPVNTGLFRWVAPNNVQGAITLIYND
VPGTYGNNSGSFSVNIGKDQS
Ligand information
Ligand IDP3K
InChIInChI=1S/C7H5NO2/c8-4-5-2-1-3-6(9)7(5)10/h1-3,9-10H
InChIKeyXHPDHXXZBWDFIB-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385Oc1cccc(C#N)c1O
OpenEye OEToolkits 2.0.7c1cc(c(c(c1)O)O)C#N
FormulaC7 H5 N O2
Name2,3-bis(oxidanyl)benzenecarbonitrile
ChEMBL
DrugBank
ZINCZINC000002581326
PDB chain6yo3 Chain A Residue 202 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6yo3 Non-Carbohydrate Glycomimetics as Inhibitors of Calcium(II)-Binding Lectins.
Resolution1.84 Å
Binding residue
(original residue number in PDB)
Y36 H50 D100 V101 T104 N107
Binding residue
(residue number reindexed from 1)
Y36 H50 D100 V101 T104 N107
Annotation score1
Binding affinityMOAD: Kd=1.11mM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0030246 carbohydrate binding
Biological Process
GO:0007157 heterophilic cell-cell adhesion via plasma membrane cell adhesion molecules
Cellular Component
GO:0005737 cytoplasm
GO:0009986 cell surface
GO:0042597 periplasmic space

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Molecular Function

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Biological Process

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Cellular Component
External links
PDB RCSB:6yo3, PDBe:6yo3, PDBj:6yo3
PDBsum6yo3
PubMed33314528
UniProtQ05097|PA1L_PSEAE PA-I galactophilic lectin (Gene Name=lecA)

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