6.3.2.13 ATP + dihydrouridine-5'-diphosphate-MurNAc-L-Ala-D-Glu + meso-2,6-diaminoheptanedioate - Escherichia coli ADP + phosphate + dihydrouridine-5'-diphosphate-MurNAc-L-Ala-D-Glu-meso-2,6-diaminoheptanedioate - ? 437 6.3.2.13 ATP + MurNAc-L-Ala-D-Glu + meso-2,6-diaminoheptanedioate relative activity wild-type: 14% Mycobacterium tuberculosis ? - ? 416625 6.3.2.13 ATP + UDP-MurNAc-L-Ala-D-Glu + D-Ala-D-Ala relative activity wild-type: 5% Mycobacterium tuberculosis ? - ? 416650 6.3.2.13 ATP + UDP-MurNAc-L-Ala-D-Glu + D-allo-cystathionine - Escherichia coli ADP + phosphate + UDP-MurNAc-L-Ala-D-Glu-D-allo-cystathionine - ? 436 6.3.2.13 ATP + UDP-MurNAc-L-Ala-D-Glu + D-Glu relative activity wild-type: 13% Mycobacterium tuberculosis ? - ? 416651 6.3.2.13 ATP + UDP-MurNAc-L-Ala-D-Glu + D-Lys relative activity wild-type: 9% Mycobacterium tuberculosis ? - ? 416652 6.3.2.13 ATP + UDP-MurNAc-L-Ala-D-Glu + D-ornithine relative activity wild-type: 8% Mycobacterium tuberculosis ? - ? 416653 6.3.2.13 ATP + UDP-MurNAc-L-Ala-D-Glu + DL-lanthionine relative activity wild-type: 82% Mycobacterium tuberculosis ? - ? 416654 6.3.2.13 ATP + UDP-MurNAc-L-Ala-D-Glu + L-Ala relative activity wild-type: 12% Mycobacterium tuberculosis ? - ? 416655 6.3.2.13 ATP + UDP-MurNAc-L-Ala-D-Glu + L-allo-cystathionine - Escherichia coli ADP + phosphate + UDP-MurNAc-L-Ala-D-Glu-L-allo-cystathionine - ? 435 6.3.2.13 ATP + UDP-MurNAc-L-Ala-D-Glu + L-cystathionine relative activity wild-type: 12% Mycobacterium tuberculosis ? - ? 416656 6.3.2.13 ATP + UDP-MurNAc-L-Ala-D-Glu + L-Lys relative activity wild-type: 7% Mycobacterium tuberculosis ? - ? 416657 6.3.2.13 ATP + UDP-MurNAc-L-Ala-D-Glu + meso-2,6-diaminoheptanedioate - Bacillus subtilis ADP + phosphate + UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-2,6-diaminoheptanedioate - ? 432 6.3.2.13 ATP + UDP-MurNAc-L-Ala-D-Glu + meso-2,6-diaminoheptanedioate - Escherichia coli ADP + phosphate + UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-2,6-diaminoheptanedioate - ? 432 6.3.2.13 ATP + UDP-MurNAc-L-Ala-D-Glu + meso-2,6-diaminoheptanedioate - Lysinibacillus sphaericus ADP + phosphate + UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-2,6-diaminoheptanedioate - ? 432 6.3.2.13 ATP + UDP-MurNAc-L-Ala-D-Glu + meso-2,6-diaminoheptanedioate r Escherichia coli ADP + phosphate + UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-2,6-diaminoheptanedioate - ? 432 6.3.2.13 ATP + UDP-MurNAc-L-Ala-D-Glu + meso-2,6-diaminoheptanedioate r Bacillus cereus ADP + phosphate + UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-2,6-diaminoheptanedioate - ? 432 6.3.2.13 ATP + UDP-MurNAc-L-Ala-D-Glu + meso-2,6-diaminoheptanedioate specific for UDP-N-MurNAc-L-Ala-D-Glu and meso-2,6-diaminoheptanedioate Bacillus cereus ADP + phosphate + UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-2,6-diaminoheptanedioate - ? 432 6.3.2.13 ATP + UDP-MurNAc-L-Ala-D-Glu + meso-2,6-diaminoheptanedioate relative activity wild-type: 100% Mycobacterium tuberculosis ADP + phosphate + UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-2,6-diaminoheptanedioate - ? 432 6.3.2.13 ATP + UDP-MurNAc-L-Ala-D-Glu + meso-2,6-diaminoheptanedioate the threedimensional structure of MurE from Mycobacterium leprae is modeled using comparative modeling methods based on the X-ray crystal structure of MurE from Escherichia coli. The docked complexes reveal the amino acids responsible for binding the substrates. Superposition of these complex structures suggests that carboxylic acid group of UDP-Nacetyl muramoyl-glycyl-D-glutamate is positioned in proximity to gamma-phosphate of the ATP to facilitate the formation of acylphosphate intermediate. The orientation of an amino group of meso-diaminopimelic acid facilitates the nucleophilic attack to form the product Mycobacterium leprae ADP + phosphate + UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-2,6-diaminoheptanedioate - ? 432 6.3.2.13 ATP + UDP-MurNAc-L-Ala-D-Glu + meso-2,6-diaminoheptanedioate - Bacillus subtilis 168 ADP + phosphate + UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-2,6-diaminoheptanedioate - ? 432 6.3.2.13 ATP + UDP-MurNAc-L-Ala-D-Glu + meso-2,6-diaminoheptanedioate - Lysinibacillus sphaericus 9602 ADP + phosphate + UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-2,6-diaminoheptanedioate - ? 432 6.3.2.13 ATP + UDP-MurNAc-L-Ala-D-Glu + meso-lanthionine - Escherichia coli ADP + phosphate + UDP-MurNAc-L-Ala-D-Glu-meso-lanthionine - ? 434 6.3.2.13 ATP + UDP-N-acetyl-alpha-D-muramoyl-glycyl-D-glutamate + L-alanine - Erysipelothrix rhusiopathiae ADP + phosphate + UDP-N-acetyl-alpha-D-muramoyl-glycyl-gamma-D-glutamyl-L-alanine - ? 443194 6.3.2.13 ATP + UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-D-glutamate + (2S,6S)-2,6-diaminoheptanedioate 7.8% activity with (2S,6S)-2,6-diaminoheptanedioate compared to L-alanine Erysipelothrix rhusiopathiae ADP + phosphate + UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-(2S,6S)-2,6-diaminoheptanedioate - ? 443196 6.3.2.13 ATP + UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-D-glutamate + beta-chloro-L-alanine 15% activity with beta-chloro-L-alanine compared to L-alanine Erysipelothrix rhusiopathiae ADP + phosphate + UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-beta-chloro-L-alanine - ? 443197 6.3.2.13 ATP + UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-D-glutamate + glycine 7% activity with glycine compared to L-alanine Erysipelothrix rhusiopathiae ADP + phosphate + UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-glycine - ? 443198 6.3.2.13 ATP + UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-D-glutamate + L-alanine highest activity with L-alanine compared to the other amino acids Erysipelothrix rhusiopathiae ADP + phosphate + UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-L-alanine - ? 443199 6.3.2.13 ATP + UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-D-glutamate + L-diaminobutyrate 7.9% activity with L-diaminobutyrate compared to L-alanine Erysipelothrix rhusiopathiae ADP + phosphate + UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-L-diaminobutyrate - ? 443200 6.3.2.13 ATP + UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-D-glutamate + L-homoserine 10% activity with L-homoserine compared to L-alanine Erysipelothrix rhusiopathiae ADP + phosphate + UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-L-homoserine - ? 443201 6.3.2.13 ATP + UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-D-glutamate + L-propargylglycine 20% activity with L-propargylglycine compared to L-alanine Erysipelothrix rhusiopathiae ADP + phosphate + UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-L-propargylglycine - ? 443202 6.3.2.13 ATP + UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-D-glutamate + L-serine 30% activity with L-serine compared to L-alanine Erysipelothrix rhusiopathiae ADP + phosphate + UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-L-serine - ? 443203 6.3.2.13 ATP + UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-D-glutamate + L-vinylglycine 58% activity with L-vinylglycine compared to L-alanine Erysipelothrix rhusiopathiae ADP + phosphate + UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-L-vinylglycine - ? 443204 6.3.2.13 ATP + UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-D-glutamate + meso-2,6-diaminoheptanedioate - Erysipelothrix rhusiopathiae ADP + phosphate + UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-meso-2,6-diaminoheptanedioate - ? 442317 6.3.2.13 ATP + UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-D-glutamate + meso-2,6-diaminoheptanedioate 30% activity with meso-2,6-diaminoheptanedioate compared to L-alanine Erysipelothrix rhusiopathiae ADP + phosphate + UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-meso-2,6-diaminoheptanedioate - ? 442317 6.3.2.13 ATP + UDP-N-acetyl-alpha-D-muramoyl-L-seryl-D-glutamate + L-alanine - Erysipelothrix rhusiopathiae ADP + phosphate + UDP-N-acetyl-alpha-D-muramoyl-L-seryl-gamma-D-glutamyl-L-alanine - ? 443205 6.3.2.13 ATP + UDP-N-acetylmuramoyl-L-Ala-D-Glu + meso-diaminopimelic acid - Mycobacterium tuberculosis ADP + phosphate + UDP-N-acetylmuramoyl-L-Ala-D-Glu-meso-diaminopimelic acid - ? 416659 6.3.2.13 ATP + UDP-N-acetylmuramoyl-L-Ala-D-Glu + meso-diaminopimelic acid - Mycobacterium tuberculosis H37Rv ADP + phosphate + UDP-N-acetylmuramoyl-L-Ala-D-Glu-meso-diaminopimelic acid - ? 416659 6.3.2.13 ATP + UDP-N-acetylmuramoyl-L-alanyl-D-glutamate + D-lysine - Thermotoga maritima ADP + phosphate + UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-D-lysine - ? 388158 6.3.2.13 ATP + UDP-N-acetylmuramoyl-L-alanyl-D-glutamate + D-lysine - Thermotoga maritima MSB8 / DSM 3109 / ATCC 43589 ADP + phosphate + UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-D-lysine - ? 388158 6.3.2.13 ATP + UDP-N-acetylmuramoyl-L-alanyl-D-glutamate + L-lysine - Staphylococcus aureus ADP + phosphate + UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-L-lysine - ? 388159 6.3.2.13 ATP + UDP-N-acetylmuramoyl-L-alanyl-D-glutamate + L-lysine - Thermotoga maritima ADP + phosphate + UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-L-lysine - ? 388159 6.3.2.13 ATP + UDP-N-acetylmuramoyl-L-alanyl-D-glutamate + L-lysine - Thermotoga maritima MSB8 / DSM 3109 / ATCC 43589 ADP + phosphate + UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-L-lysine - ? 388159 6.3.2.13 ATP + UDP-N-acetylmuramoyl-L-alanyl-D-glutamate + L-ornithine - Thermotoga maritima ADP + phosphate + UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-L-ornithine - ? 388160 6.3.2.13 ATP + UDP-N-acetylmuramoyl-L-alanyl-D-glutamate + L-ornithine - Thermotoga maritima MSB8 / DSM 3109 / ATCC 43589 ADP + phosphate + UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-L-ornithine - ? 388160 6.3.2.13 ATP + UDP-N-acetylmuramoyl-L-alanyl-D-glutamate + meso-2,6-diaminoheptanedioate - Staphylococcus aureus ADP + phosphate + UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-2,6-diamino-heptanedioate - ? 369028 6.3.2.13 ATP + UDP-N-acetylmuramoyl-L-alanyl-D-glutamate + meso-2,6-diaminoheptanedioate - Escherichia coli ADP + phosphate + UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-2,6-diamino-heptanedioate - ? 369028 6.3.2.13 ATP + UDP-N-acetylmuramoyl-L-alanyl-D-glutamate + meso-2,6-diaminoheptanedioate - Pseudomonas aeruginosa ADP + phosphate + UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-2,6-diamino-heptanedioate - ? 369028 6.3.2.13 ATP + UDP-N-acetylmuramoyl-L-alanyl-D-glutamate + meso-2,6-diaminoheptanedioate - Escherichia coli ADP + phosphate + UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-2,6-diamino-heptanedioate - r 369028 6.3.2.13 ATP + UDP-N-acetylmuramoyl-L-alanyl-D-glutamate + meso-2,6-diaminoheptanedioate essential for optimal expression of methicillin resistance Staphylococcus aureus ADP + phosphate + UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-2,6-diamino-heptanedioate - ? 369028 6.3.2.13 ATP + UDP-N-acetylmuramoyl-L-alanyl-D-glutamate + meso-2,6-diaminoheptanedioate part of bacterial cell-wall peptidoglycan biosynthesis Escherichia coli ADP + phosphate + UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-2,6-diamino-heptanedioate - r 369028 6.3.2.13 ATP + UDP-N-acetylmuramoyl-L-alanyl-D-glutamate + meso-2,6-diaminoheptanedioate - Mycobacterium tuberculosis ADP + phosphate + UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-2,6-diaminoheptanedioate - ? 427397 6.3.2.13 ATP + UDP-N-acetylmuramoyl-L-alanyl-D-glutamate + meso-2,6-diaminoheptanedioate - Mycobacterium leprae ADP + phosphate + UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-2,6-diaminoheptanedioate - ? 427397 6.3.2.13 ATP + UDP-N-acetylmuramoyl-L-alanyl-D-glutamate + meso-2,6-diaminoheptanedioate - Mycobacterium tuberculosis H37Rv ADP + phosphate + UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-2,6-diaminoheptanedioate - ? 427397 6.3.2.13 ATP + UDP-N-acetylmuramoyl-L-alanyl-D-glutamate + meso-diaminopimelic acid - Thermotoga maritima ADP + phosphate + UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-diaminopimelic acid - ? 388161 6.3.2.13 ATP + UDP-N-acetylmuramoyl-L-alanyl-D-glutamate + meso-diaminopimelic acid - Thermotoga maritima MSB8 / DSM 3109 / ATCC 43589 ADP + phosphate + UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-diaminopimelic acid - ? 388161 6.3.2.13 ATP + UDP-N-MurNAc-L-Ala-D-Glu + meso-2,6-diaminoheptanedioate enzyme activity is required exclusively for cortical peptidoglycan synthesis, it is absent during vegetative growth, and is synthesized during forespore maturation Lysinibacillus sphaericus ? - ? 369304 6.3.2.13 ATP + UDP-N-MurNAc-L-Ala-D-Glu + meso-2,6-diaminoheptanedioate catalyzes an early reaction in the biosynthesis of bacterial peptidoglycan Escherichia coli ? - ? 369304 6.3.2.13 ATP + UDP-N-MurNAc-L-Ala-D-Glu + meso-2,6-diaminoheptanedioate the adding activity is not in excess in the cell under normal growth conditions, but their amounts appear adjusted to the requirements of peptidoglycan synthesis Escherichia coli ? - ? 369304 6.3.2.13 ATP + UDP-N-MurNAc-L-Ala-D-Glu + meso-2,6-diaminoheptanedioate enzyme is not essential for growth Escherichia coli ? - ? 369304 6.3.2.13 ATP + UDP-N-MurNAc-L-Ala-D-Glu + meso-2,6-diaminoheptanedioate enzyme activity is required exclusively for cortical peptidoglycan synthesis, it is absent during vegetative growth, and is synthesized during forespore maturation Lysinibacillus sphaericus 9602 ? - ? 369304 6.3.2.13 GTP + UDP-MurNAc-L-Ala-D-Glu + meso-2,6-diaminoheptanedioate relative activity wild-type: 30% Mycobacterium tuberculosis GDP + phosphate + UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-2,6-diaminoheptanedioate - ? 417071 6.3.2.13 additional information highly specific in adding meso-diaminopimelic acid to UDP-MurNAc-dipeptide. No substrate: L-Lys, D-Lys, m-Lys, L-Ala, D-Ala, L-Glu, D-Glu, Gly, Gly-Gly, DL-ornithine, N-acetylmuramic acid, UDP-N-acetylmuramoyl pentapeptide. ATP-hydrolysis is an absolute requirement for activity Mycobacterium tuberculosis ? - ? 89 6.3.2.13 additional information MurE is only active in the presence of its specific natural substrates UDP-N-acetylmuramoyl-L-alanine-D-glutamate, meso-2,6-diaminoheptanedioate, and ATP Mycobacterium tuberculosis ? - ? 89 6.3.2.13 additional information enzyme substrate specificity, overview. Poor activity with D-alanine, L-lysine, L-ornithine, L-cysteine, L-allylglycine, L-1-aminoethylphosphonic acid, L-alanine amide, L-norvaline and L-alpha-aminobutyric acid. Enzyme-ligand interaction analysis, overview Erysipelothrix rhusiopathiae ? - ? 89 6.3.2.13 additional information highly specific in adding meso-diaminopimelic acid to UDP-MurNAc-dipeptide. No substrate: L-Lys, D-Lys, m-Lys, L-Ala, D-Ala, L-Glu, D-Glu, Gly, Gly-Gly, DL-ornithine, N-acetylmuramic acid, UDP-N-acetylmuramoyl pentapeptide. ATP-hydrolysis is an absolute requirement for activity Mycobacterium tuberculosis H37Rv ? - ? 89 6.3.2.13 additional information MurE is only active in the presence of its specific natural substrates UDP-N-acetylmuramoyl-L-alanine-D-glutamate, meso-2,6-diaminoheptanedioate, and ATP Mycobacterium tuberculosis H37Rv ? - ? 89 6.3.2.13 UDP-N-acetylmuramoyl-L-alanyl-D-glutamate + ATP + meso-diaminopimelic acid - Mycobacterium tuberculosis ADP + phosphate + UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-diaminopimelic acid - ? 410612 6.3.2.13 UDP-N-acetylmuramoyl-L-alanyl-D-glutamate + ATP + meso-diaminopimelic acid assay at pH 8.0 Pseudomonas aeruginosa ADP + phosphate + UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-diaminopimelic acid - ? 410612 6.3.2.13 UTP + UDP-MurNAc-L-Ala-D-Glu + meso-2,6-diaminoheptanedioate - Bacillus cereus UDP + phosphate + UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-2,6-diaminoheptanedioate - ? 433 6.3.2.13 UTP + UDP-MurNAc-L-Ala-D-Glu + meso-2,6-diaminoheptanedioate 16% of the activity relative to ATP Bacillus cereus UDP + phosphate + UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-2,6-diaminoheptanedioate - ? 433 6.3.2.13 UTP + UDP-MurNAc-L-Ala-D-Glu + meso-2,6-diaminoheptanedioate relative activity wild-type: 17% Mycobacterium tuberculosis UDP + phosphate + UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-2,6-diaminoheptanedioate - ? 433