Structure of PDB 5may Chain B Binding Site BS04

Receptor Information
>5may Chain B (length=114) Species: 208963 (Pseudomonas aeruginosa UCBPP-PA14) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ATQGVFTLPANTQFGVTAFANSAGTQTVNVQVNNETVATFTGQSTNNAII
GSKVLNSGGGGKVQILVSVNGRSSDLVSAQVILANELNFALVGSEDSTDN
DYNDAVVVINWPLG
Ligand information
Ligand IDPK6
InChIInChI=1S/C5H7NO2S2/c1-6-10(7,8)5-3-2-4-9-5/h2-4,6H,1H3
InChIKeyCTIGHRXLNNYNGU-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6CNS(=O)(=O)c1cccs1
CACTVS 3.385CN[S](=O)(=O)c1sccc1
FormulaC5 H7 N O2 S2
NameN-methyl-2-thiophenesulfonamide
ChEMBL
DrugBank
ZINCZINC000000249469
PDB chain5may Chain B Residue 203 [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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PDB5may Glycomimetic, Orally Bioavailable LecB Inhibitors Block Biofilm Formation of Pseudomonas aeruginosa.
Resolution1.65 Å
Binding residue
(original residue number in PDB)		G24 R72 D96
Binding residue
(residue number reindexed from 1)		G24 R72 D96
Annotation score1
Binding affinityPDBbind-CN: -logKd/Ki=6.48,Kd=0.328uM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0030246 carbohydrate binding
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:5may, PDBe:5may, PDBj:5may
PDBsum5may
PubMed29272578
UniProtA0A0H2ZE85

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