Structure of PDB 7t5x Chain A Binding Site BS02

Receptor Information
>7t5x Chain A (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 IDF4L
InChIInChI=1S/C17H21N7O3/c1-17(2,3)27-16(26)19-13(14(25)20-15-21-23-24-22-15)8-10-9-18-12-7-5-4-6-11(10)12/h4-7,9,13,18H,8H2,1-3H3,(H,19,26)(H2,20,21,22,23,24,25)/t13-/m1/s1
InChIKeyOGAGNLWYSIOVOG-CYBMUJFWSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CC(C)(C)OC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc3[nH]nnn3
CACTVS 3.385CC(C)(C)OC(=O)N[CH](Cc1c[nH]c2ccccc12)C(=O)Nc3[nH]nnn3
OpenEye OEToolkits 2.0.7CC(C)(C)OC(=O)NC(Cc1c[nH]c2c1cccc2)C(=O)Nc3[nH]nnn3
OpenEye OEToolkits 2.0.7CC(C)(C)OC(=O)N[C@H](Cc1c[nH]c2c1cccc2)C(=O)Nc3[nH]nnn3
ACDLabs 12.01O=C(Nc1nnn[NH]1)C(Cc1c[NH]c2ccccc21)NC(=O)OC(C)(C)C
FormulaC17 H21 N7 O3
NameNalpha-(tert-butoxycarbonyl)-N-1H-tetrazol-5-yl-D-tryptophanamide
ChEMBL
DrugBank
ZINC
PDB chain7t5x Chain C Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7t5x Structure-Based Ligand Design Targeting Pseudomonas aeruginosa LpxA in Lipid A Biosynthesis.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		A138 H156
Binding residue
(residue number reindexed from 1)		A137 H155
Annotation score1
Enzymatic activity
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:7t5x, PDBe:7t5x, PDBj:7t5x
PDBsum7t5x
PubMed35653508
UniProtA6V1E4|LPXA_PSEA7 Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase (Gene Name=lpxA)

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