Structure of PDB 7osq Chain A Binding Site BS02

Receptor Information
>7osq Chain A (length=337) Species: 208964 (Pseudomonas aeruginosa PAO1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LELQEHCSLKPYNTFGIDVRARLLAHARDEADVREALALARERGLPLLVI
GGGSNLLLTRDVEALVLRMASQGRRIVSDAADSVLVEAEAGEAWDPFVQW
SLERGLAGLENLSLIPGTVGAAPMQNIGAYGVELKDVFDSLTALDRQDGT
LREFDRQACRFGYRDSLFKQEPDRWLILRVRLRLTRRERLHLDYGPVRQR
LEEEGIASPTARDVSRVICAIRREKLPDPAVLGNAGSFFKNPLVDATQAE
RLRQAFPDLVGYPQADGRLKLAAGWLIDKGGWKGFRDGPVGVHAQQALVL
VNHGGATGAQVRALAERIQEDVRRRFGVELEPEPNLY
Ligand information
Ligand ID0JI
InChIInChI=1S/C10H9N3O2/c1-7-9(10(14)15)11-12-13(7)8-5-3-2-4-6-8/h2-6H,1H3,(H,14,15)
InChIKeyRRHCZOBPABYIJZ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385Cc1n(nnc1C(O)=O)c2ccccc2
OpenEye OEToolkits 2.0.7Cc1c(nnn1c2ccccc2)C(=O)O
FormulaC10 H9 N3 O2
Name5-methyl-1-phenyl-1,2,3-triazole-4-carboxylic acid
ChEMBLCHEMBL1370586
DrugBank
ZINCZINC000000234666
PDB chain7osq Chain A Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7osq Discovery of Novel Inhibitors of Uridine Diphosphate- N -Acetylenolpyruvylglucosamine Reductase (MurB) from Pseudomonas aeruginosa , an Opportunistic Infectious Agent Causing Death in Cystic Fibrosis Patients.
Resolution2.07 Å
Binding residue
(original residue number in PDB)		A131 Y132 R166 G238 S239 V301
Binding residue
(residue number reindexed from 1)		A129 Y130 R164 G236 S237 V299
Annotation score1
Enzymatic activity
Enzyme Commision number 1.3.1.98: UDP-N-acetylmuramate dehydrogenase.
Gene Ontology
Molecular Function
GO:0008762 UDP-N-acetylmuramate dehydrogenase activity
GO:0016491 oxidoreductase activity
GO:0050660 flavin adenine dinucleotide binding
GO:0071949 FAD binding
Biological Process
GO:0008360 regulation of cell shape
GO:0009252 peptidoglycan biosynthetic process
GO:0051301 cell division
GO:0071555 cell wall organization
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7osq, PDBe:7osq, PDBj:7osq
PDBsum7osq
PubMed35080396
UniProtQ9HZM7|MURB_PSEAE UDP-N-acetylenolpyruvoylglucosamine reductase (Gene Name=murB)

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