Structure of PDB 5maz Chain B Binding Site BS02

Receptor Information
>5maz 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 IDIGF
InChIInChI=1S/C7H11NO2S2/c1-5-4-7(6(2)11-5)12(9,10)8-3/h4,8H,1-3H3
InChIKeyMQZNMDAQVFXGMG-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CN[S](=O)(=O)c1cc(C)sc1C
OpenEye OEToolkits 2.0.6Cc1cc(c(s1)C)S(=O)(=O)NC
FormulaC7 H11 N O2 S2
NameN,2,5-trimethyl-3-thiophenesulfonamide
ChEMBL
DrugBank
ZINC
PDB chain5maz Chain B Residue 204 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5maz Discovery of a new class of C-glycoside based inhibitors of the virulence factor LecB from Pseudomonas aeruginosa
Resolution1.45 Å
Binding residue
(original residue number in PDB)		A23 G24 D96 S97
Binding residue
(residue number reindexed from 1)		A23 G24 D96 S97
Annotation score1
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:5maz, PDBe:5maz, PDBj:5maz
PDBsum5maz
PubMed
UniProtA0A0H2ZE85

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