Structure of PDB 3zdv Chain B Binding Site BS04

Receptor Information
>3zdv Chain B (length=114) Species: 208964 (Pseudomonas aeruginosa PAO1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ATQGVFTLPANTRFGVTAFANSSGTQTVNVLVNNETAATFSGQSTNNAVI
GTQVLNSGSSGKVQVQVSVNGRPSDLVSAQVILTNELNFALVGSEDGTDN
DYNDAVVVINWPLG
Ligand information
Ligand IDF1A
InChIInChI=1S/C9H13NO2S/c1-6-4-7(2)9(8(3)5-6)13(10,11)12/h4-5H,1-3H3,(H2,10,11,12)
InChIKeyYECJUZIGFPJWGQ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385Cc1cc(C)c(c(C)c1)[S](N)(=O)=O
OpenEye OEToolkits 1.9.2Cc1cc(c(c(c1)C)S(=O)(=O)N)C
ACDLabs 12.01O=S(=O)(N)c1c(cc(cc1C)C)C
FormulaC9 H13 N O2 S
Name2,4,6-trimethylbenzenesulfonamide
ChEMBL
DrugBank
ZINCZINC000000185211
PDB chain3zdv Chain B Residue 202 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB3zdv Discovery of Two Classes of Potent Glycomimetic Inhibitors of Pseudomonas Aeruginosa Lecb with Distinct Binding Modes.
Resolution1.41 Å
Binding residue
(original residue number in PDB)		G24 D96
Binding residue
(residue number reindexed from 1)		G24 D96
Annotation score1
Binding affinityPDBbind-CN: -logKd/Ki=5.48,Kd=3.3uM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0030246 carbohydrate binding
GO:0046872 metal ion binding
Biological Process
GO:0044010 single-species biofilm formation

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:3zdv, PDBe:3zdv, PDBj:3zdv
PDBsum3zdv
PubMed23719508
UniProtQ9HYN5

[Back to BioLiP]