Structure of PDB 1qnl Chain A Binding Site BS01

Receptor Information
>1qnl Chain A (length=368) Species: 287 (Pseudomonas aeruginosa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PLIGLLFSETGVTADIERSQRYGALLAVEQLNREGGVGGRPIETLSQDPG
GDPDRYRLCAEDFIRNRGVRFLVGCYMSHTRKAVMPVVERADALLCYPNP
YEGFEYSPNIVYGGPAPNQNSAPLAAYLIRHYGERVVFIGSDYIYPRESN
HVMRHLYRQHGGTVLEEIYIPLYPSDDDLQRAVERIYQARADVVFSTVVG
TGTAELYRAIARRYGDGRRPPIASLTTSEAEVAKMESDVAEGQVVVAPYF
SSIDTPASRAFVQACHGFFPENATITAWAEAAYWQTLLLGRAAQAAGNWR
VEDVQRHLYDIDIDAPQGPVRVERQNNHSRLSSRIAEIDARGVFQVRWQS
PEPIRPDPYVVVHNLDDW
Ligand information
Ligand IDBMD
InChIInChI=1S/C4H9NO/c1-2-3-4(5)6/h2-3H2,1H3,(H2,5,6)
InChIKeyDNSISZSEWVHGLH-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(N)CCC
OpenEye OEToolkits 1.5.0CCCC(=O)N
CACTVS 3.341CCCC(N)=O
FormulaC4 H9 N O
NameBUTYRAMIDE
ChEMBLCHEMBL1231396
DrugBankDB02121
ZINCZINC000001586734
PDB chain1qnl Chain A Residue 1001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1qnl Structural Adaptation to Selective Pressure for Altered Ligand Specificity in the Pseudomonas Aeruginosa Amide Receptor, Amic
Resolution2.7 Å
Binding residue
(original residue number in PDB)		Y83 M84 S85 P107 Y108 Y150 Y152
Binding residue
(residue number reindexed from 1)		Y76 M77 S78 P100 Y101 Y143 Y145
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0016301 kinase activity
GO:0033218 amide binding
Biological Process
GO:0006865 amino acid transport
GO:0016310 phosphorylation
GO:0034251 regulation of amide catabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:1qnl, PDBe:1qnl, PDBj:1qnl
PDBsum1qnl
PubMed10708652
UniProtP27017|AMIC_PSEAE Aliphatic amidase expression-regulating protein (Gene Name=amiC)

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