Structure of PDB 6uee Chain E Binding Site BS01

Receptor Information
>6uee Chain E (length=257) Species: 381754 (Pseudomonas aeruginosa PA7) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SLIDPRAIIDPSARLAADVQVGPWSIVGAEVEIGEGTVIGPHVVLKGPTK
IGKHNRIYQFSSVGEDTPDLKYKGEPTRLVIGDHNVIREGVTIHRGTVQD
RAETTIGDHNLIMAYAHIGHDSVIGNHCILVNNTALAGHVHVDDWAILSG
YTLVHQYCRIGAHSFSGMGSAIGKDVPAYVTVFGNPAEARSMNFEGMRRR
GFSSEAIHALRRAYKVVYRQGHTVEEALAELAESAAQFPEVAVFRDSIQS
ATRGITR
Ligand information
Ligand IDQ5M
InChIInChI=1S/C14H12O3/c15-13(8-9-14(16)17)12-7-3-5-10-4-1-2-6-11(10)12/h1-7H,8-9H2,(H,16,17)
InChIKeyYNEXYDHOGAIPHO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385OC(=O)CCC(=O)c1cccc2ccccc12
ACDLabs 12.01c1(C(CCC(O)=O)=O)cccc2c1cccc2
OpenEye OEToolkits 2.0.7c1ccc2c(c1)cccc2C(=O)CCC(=O)O
FormulaC14 H12 O3
Name4-(naphthalen-1-yl)-4-oxobutanoic acid
ChEMBLCHEMBL1530549
DrugBank
ZINCZINC000000236510
PDB chain6uee Chain E Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6uee Discovery of dual-activity small-molecule ligands of Pseudomonas aeruginosa LpxA and LpxD using SPR and X-ray crystallography.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		V132 N133 S150 G151
Binding residue
(residue number reindexed from 1)		V131 N132 S149 G150
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H121 D122 G139
Catalytic site (residue number reindexed from 1) H120 D121 G138
Enzyme Commision number 2.3.1.129: acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase.
Gene Ontology
Molecular Function
GO:0008780 acyl-[acyl-carrier-protein]-UDP-N-acetylglucosamine O-acyltransferase activity
GO:0016740 transferase activity
GO:0016746 acyltransferase activity
Biological Process
GO:0008610 lipid biosynthetic process
GO:0009245 lipid A biosynthetic process
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6uee, PDBe:6uee, PDBj:6uee
PDBsum6uee
PubMed31664082
UniProtA6V1E4|LPXA_PSEA7 Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase (Gene Name=lpxA)

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