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Literature summary extracted from

  • Mangal, P.; Jha, R.K.; Jain, M.; Singh, A.K.; Muthukumaran, J.
    Identification and prioritization of promising lead molecules from Syzygium aromaticum against Sortase C from Streptococcus pyogenes an in silico investigation (2023), J. Biomol. Struct. Dyn., 41, 5418-5435.
    View publication on PubMed

Inhibitors

EC Number Inhibitors Comment Organism Structure
3.4.22.B63 (1R,2R,3S)-2,3,9,11,12,13,16,17,18-nonahydroxy-7,20-dioxo-1,2,3,4a,5,7,20,21a-octahydropyrano[3',2':3,4][2,6]benzodioxacycloundecino[9,8-a]oxanthren-1-yl 3,4,5-trihydroxybenzoate syzyginin B Streptococcus pyogenes serotype M28
3.4.22.B63 (5Z)-6,10,10-trimethyl-2-methylidenebicyclo[7.2.0]undec-5-en-3-ol
-
 Streptococcus pyogenes serotype M28
3.4.22.B63 1,5-anhydro-1-(5,7-dihydroxy-2-methyl-4-oxo-4H-1-benzopyran-8-yl)hexitol
-
 Streptococcus pyogenes serotype M28
3.4.22.B63 1-(6-hydroxy-2,4-dimethoxy-3-methylphenyl)ethan-1-one
-
 Streptococcus pyogenes serotype M28
3.4.22.B63 2,3,4,6-tetrakis-O-(3,4,5-trihydroxybenzoyl)-D-glucopyranose
-
 Streptococcus pyogenes serotype M28
3.4.22.B63 2,3-bis-O-galloyl-beta-D-glucopyranose
-
 Streptococcus pyogenes serotype M28
3.4.22.B63 2,3-dihydroxyolean-12-en-28-oic acid
-
 Streptococcus pyogenes serotype M28
3.4.22.B63 2-Heptanol
-
 Streptococcus pyogenes serotype M28
3.4.22.B63 2-Heptanone
-
 Streptococcus pyogenes serotype M28
3.4.22.B63 2-methoxy-4-(prop-2-en-1-yl)phenyl acetate acetyleugenol Streptococcus pyogenes serotype M28
3.4.22.B63 2-nonanol
-
 Streptococcus pyogenes serotype M28
3.4.22.B63 2-nonanone
-
 Streptococcus pyogenes serotype M28
3.4.22.B63 3,4,5-trihydroxy-2-[(13R,14R,15S)-2,3,4,5,7-pentahydroxy-9,17-dioxo-13,14,15-tris[(3,4,5-trihydroxybenzoyl)oxy]-9,11,11a,13,14,15,15a,17-octahydrodibenzo[g,i]pyrano[3,2-b][1,5]dioxacycloundecin-6-yl]benzoic acid syzyginin A Streptococcus pyogenes serotype M28
3.4.22.B63 beta-caryophyllene
-
 Streptococcus pyogenes serotype M28
3.4.22.B63 biflorin
-
 Streptococcus pyogenes serotype M28
3.4.22.B63 caryophyllone oxide
-
 Streptococcus pyogenes serotype M28
3.4.22.B63 casuarictin
-
 Streptococcus pyogenes serotype M28
3.4.22.B63 eugeniin
-
 Streptococcus pyogenes serotype M28
3.4.22.B63 eugenin
-
 Streptococcus pyogenes serotype M28
3.4.22.B63 eugenol
-
 Streptococcus pyogenes serotype M28
3.4.22.B63 heptan-2-one
-
 Streptococcus pyogenes serotype M28
3.4.22.B63 heptan-2-yl benzoate
-
 Streptococcus pyogenes serotype M28
3.4.22.B63 isoeugenitol
-
 Streptococcus pyogenes serotype M28
3.4.22.B63 additional information identification and prioritization of promising lead molecules from extracts of Syzygium aromaticum against sortase C, virtual screening with an in-house library of phytochemicals from Syzygium aromaticum and molecular docking studies are performed, analysis of the drug-like and pharmacokinetic properties, molecular dynamics simulations of the protein-ligand complexes of the selected ligands, binding kinetics, overview. The possible binding site residues of Sortase C are Cys211, Leu161, and Leu221 Streptococcus pyogenes serotype M28
3.4.22.B63 Naphthalene
-
 Streptococcus pyogenes serotype M28
3.4.22.B63 penicillin G
-
 Streptococcus pyogenes serotype M28
3.4.22.B63 pentagalloyl glucose
-
 Streptococcus pyogenes serotype M28

Organism

EC Number Organism UniProt Comment Textmining
3.4.22.B63 no activity in Homo sapiens
-
-
-
3.4.22.B63 Streptococcus pyogenes serotype M28 Q48VN6 multi-drug resistant Streptococcus pyogenes (MDRSP)
-
3.4.22.B63 Streptococcus pyogenes serotype M28 MGAS6180 Q48VN6 multi-drug resistant Streptococcus pyogenes (MDRSP)
-

Subunits

EC Number Subunits Comment Organism
3.4.22.B63 additional information secondary structure prediction of sortase C Streptococcus pyogenes serotype M28

Synonyms

EC Number Synonyms Comment Organism
3.4.22.B63 Class C sortase protein SrtC UniProt Streptococcus pyogenes serotype M28
3.4.22.B63 sortase C
-
 Streptococcus pyogenes serotype M28
3.4.22.B63 SrtC
-
 Streptococcus pyogenes serotype M28

General Information

EC Number General Information Comment Organism
3.4.22.B63 additional information homology three-dimensional enzyme protein structure modelling using the crystal structure of Sortase C from Streptococcus pneumoniae, overview Streptococcus pyogenes serotype M28
3.4.22.B63 physiological function sortases are extracellular transpeptidases that play an essential role in the adhesion of secreted proteins to the peptidoglycan layer of the cell wall of Gram-negative bacteria Streptococcus pyogenes serotype M28