Structure of PDB 6yo3 Chain A Binding Site BS02
Receptor Information
>6yo3 Chain A (length=121) Species:
208964
(Pseudomonas aeruginosa PAO1) [
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AWKGEVLANNEAGQVTSIIYNPGDVITIVAAGWASYGPTQKWGPQGDREH
PDQGLICHDAFCGALVMKIGNSGTIPVNTGLFRWVAPNNVQGAITLIYND
VPGTYGNNSGSFSVNIGKDQS
Ligand information
Ligand ID
P3K
InChI
InChI=1S/C7H5NO2/c8-4-5-2-1-3-6(9)7(5)10/h1-3,9-10H
InChIKey
XHPDHXXZBWDFIB-UHFFFAOYSA-N
SMILES
Software
SMILES
CACTVS 3.385
Oc1cccc(C#N)c1O
OpenEye OEToolkits 2.0.7
c1cc(c(c(c1)O)O)C#N
Formula
C7 H5 N O2
Name
2,3-bis(oxidanyl)benzenecarbonitrile
ChEMBL
DrugBank
ZINC
ZINC000002581326
PDB chain
6yo3 Chain A Residue 202 [
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Receptor-Ligand Complex Structure
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PDB
6yo3
Non-Carbohydrate Glycomimetics as Inhibitors of Calcium(II)-Binding Lectins.
Resolution
1.84 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 score
1
Binding affinity
MOAD
: 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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Cellular Component
External links
PDB
RCSB:6yo3
,
PDBe:6yo3
,
PDBj:6yo3
PDBsum
6yo3
PubMed
33314528
UniProt
Q05097
|PA1L_PSEAE PA-I galactophilic lectin (Gene Name=lecA)
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