myctu-PKS13
Mycobacterium tuberculosis, Mycobacterium bovis, polyketide synthase Thioesterase domain (PKS13 Rv3800c MT3907)
Comment
There are more than 1000 strains. Other Uniprot entries and list of strains can be found with the link: Other strains
Relationship
Family : Thioesterase
Block : X
Position in NCBI Life Tree : Mycobacterium tuberculosis
(Below N is a link to NCBI taxonomic web page and E link to ESTHER at designed phylum.)
> cellular organisms N E > Bacteria N E > Terrabacteria group N E > Actinobacteria [phylum] N E > Actinobacteria [class] N E > Corynebacteriales N E > Mycobacteriaceae N E > Mycobacterium N E > Mycobacterium tuberculosis complex N E > Mycobacterium tuberculosis N EMolecular evidence
No mutation
8Q0U - Mycobacterium tuberculosis Polyketide synthetase 13 thioesterase domain in complex with IKG Compound 33 with antitubercular activity
8Q0T - Mycobacterium tuberculosis Polyketide synthetase 13 thioesterase domain in complex with IJJ Compound 50 with antitubercular activity
8Q17 - Identification and optimisation of novel inhibitors of the Polyketide synthetase 13 thioesterase domain with antitubercular activity
7VJT - Crystal Structure of Mtb Pks13-TE in complex with inhibitor coumestan derivative 8
5V3X - Crystal Structure of Mtb Pks13 Thioesterase domain in complex with inhibitor TAM1
5V3Y - Crystal Structure of Mtb Pks13 Thioesterase domain in complex with inhibitor TAM16
5V40 - Crystal Structure of Mtb Pks13 Thioesterase domain in complex with inhibitor TAM6
5V3Z - Crystal Structure of the D1607N mutant form of Thioesterase domain of Mtb Pks13
5V41 - Crystal Structure of Mtb Pks13 Thioesterase domain in complex with inhibitor TAM5
5V3W - Crystal Structure of the Apo form of Thioesterase domain of Mtb Pks13
5V42 - Crystal Structure of Mtb Pks13 Thioesterase domain in complex with inhibitor TAM3
8TRY - Crystal Structure of Mtb Pks13 Thioesterase domain in complex with inhibitor X20348
8TQG - Crystal Structure of Mtb Pks13 Thioesterase domain in complex with inhibitor X20419
8TQV - Crystal Structure of Mtb Pks13 Thioesterase domain in complex with inhibitor X20403
8TR4 - Crystal Structure of Mtb Pks13 Thioesterase domain in complex with inhibitor X20404
7M7V - Crystal Structure of Mtb Pks13 Thioesterase domain in complex with Compound 6 Optimization of TAM16
No kinetic
No disease
No substrate
Database
Sequence
Peptide
VPVFVFHPAG GSTVVYEPLL GRLPADTPMY GFERVEGSIE ERAQQYVPKL IEMQGDGPYV LVGWSLGGVL AYACAIGLRR LGKDVRFVGL IDAVRAGEEI PQTKEEIRKR WDRYAAFAEK TFNVTIPAIP YEQLEELDDE GQVRFVLDAV SQSGVQIPAG IIEHQRTSYL DNRAIDTAQI QPYDGHVTLY MADRYHDDAI MFEPRYAVRQ PDGGWGEYVS DLEVVPIGGE HIQAIDEPII AKVGEHMSRA LGQIEADRTS EVGKQ
References (24)
| Title : Identification and Optimization of Novel Inhibitors of the Polyketide Synthase 13 Thioesterase Domain with Antitubercular Activity - Green_2023_J.Med.Chem__ |
| Author(s) : Green SR , Wilson C , Eadsforth TC , Punekar AS , Tamaki FK , Wood G , Caldwell N , Forte B , Norcross NR , Kiczun M , Post JM , Lopez-Roman EM , Engelhart CA , Lukac I , Zuccotto F , Epemolu O , Boshoff HIM , Schnappinger D , Walpole C , Gilbert IH , Read KD , Wyatt PG , Baragana B |
| Ref : Journal of Medicinal Chemistry , : , 2023 |
| PubMedID: 37948640 |
| Gene_locus related to this paper: myctu-PKS13 |
| Title : An integrated computational approach towards novel drugs discovery against polyketide synthase 13 thioesterase domain of Mycobacterium tuberculosis - Altharawi_2023_Sci.Rep_13_7014 |
| Author(s) : Altharawi A , Alossaimi MA , Alanazi MM , Alqahatani SM , Tahir Ul Qamar M |
| Ref : Sci Rep , 13 :7014 , 2023 |
| PubMedID: 37117557 |
| Gene_locus related to this paper: myctu-PKS13 |
| Title : Structure-Based Optimization of Coumestan Derivatives as Polyketide Synthase 13-Thioesterase(Pks13-TE) Inhibitors with Improved hERG Profiles for Mycobacterium tuberculosis Treatment - Zhang_2022_J.Med.Chem_65_13240 |
| Author(s) : Zhang W , Lun S , Wang SS , Cai YP , Yang F , Tang J , Bishai WR , Yu LF |
| Ref : Journal of Medicinal Chemistry , 65 :13240 , 2022 |
| PubMedID: 36174223 |
| Gene_locus related to this paper: myctu-PKS13 |
| Title : Optimization of TAM16, a Benzofuran That Inhibits the Thioesterase Activity of Pks13\; Evaluation toward a Preclinical Candidate for a Novel Antituberculosis Clinical Target - Wilson_2022_J.Med.Chem_65_409 |
| Author(s) : Wilson C , Ray P , Zuccotto F , Hernandez J , Aggarwal A , Mackenzie C , Caldwell N , Taylor M , Huggett M , Mathieson M , Murugesan D , Smith A , Davis S , Cocco M , Parai MK , Acharya A , Tamaki F , Scullion P , Epemolu O , Riley J , Stojanovski L , Lopez-Roman EM , Torres-Gomez PA , Toledo AM , Guijarro-Lopez L , Camino I , Engelhart CA , Schnappinger D , Massoudi LM , Lenaerts A , Robertson GT , Walpole C , Matthews D , Floyd D , Sacchettini JC , Read KD , Encinas L , Bates RH , Green SR , Wyatt PG |
| Ref : Journal of Medicinal Chemistry , 65 :409 , 2022 |
| PubMedID: 34910486 |
| Gene_locus related to this paper: myctu-PKS13 |
| Title : Design and synthesis of mycobacterial pks13 inhibitors: Conformationally rigid tetracyclic molecules - Zhang_2021_Eur.J.Med.Chem_213_113202 |
| Author(s) : Zhang W , Liu LL , Lun S , Wang SS , Xiao S , Gunosewoyo H , Yang F , Tang J , Bishai WR , Yu LF |
| Ref : Eur Journal of Medicinal Chemistry , 213 :113202 , 2021 |
| PubMedID: 33516983 |
| Gene_locus related to this paper: myctu-PKS13 |
| Title : Identification of Novel Coumestan Derivatives as Polyketide Synthase 13 Inhibitors against Mycobacterium tuberculosis. Part II - Zhang_2019_J.Med.Chem_62_3575 |
| Author(s) : Zhang W , Lun S , Liu LL , Xiao S , Duan G , Gunosewoyo H , Yang F , Tang J , Bishai WR , Yu LF |
| Ref : Journal of Medicinal Chemistry , 62 :3575 , 2019 |
| PubMedID: 30875203 |
| Gene_locus related to this paper: myctu-PKS13 |
| Title : Identification of Novel Coumestan Derivatives as Polyketide Synthase 13 Inhibitors against Mycobacterium tuberculosis - Zhang_2018_J.Med.Chem_61_791 |
| Author(s) : Zhang W , Lun S , Wang SH , Jiang XW , Yang F , Tang J , Manson AL , Earl AM , Gunosewoyo H , Bishai WR , Yu LF |
| Ref : Journal of Medicinal Chemistry , 61 :791 , 2018 |
| PubMedID: 29328655 |
| Gene_locus related to this paper: myctu-PKS13 |
| Title : Crystallization and structure analysis of the core motif of the Pks13 acyltransferase domain from Mycobacterium tuberculosis - Yu_2018_PeerJ_6_e4728 |
| Author(s) : Yu M , Dou C , Gu Y , Cheng W |
| Ref : PeerJ , 6 :e4728 , 2018 |
| PubMedID: 29761048 |
| Gene_locus related to this paper: myctu-PKS13 |
| Title : Characterization of Tetrahydrolipstatin and Stereoderivatives on the Inhibition of Essential Mycobacterium tuberculosis Lipid Esterases - Goins_2018_Biochemistry_57_2383 |
| Author(s) : Goins CM , Sudasinghe TD , Liu X , Wang Y , O'Doherty GA , Ronning DR |
| Ref : Biochemistry , 57 :2383 , 2018 |
| PubMedID: 29601187 |
| Gene_locus related to this paper: myctu-a85c , myctu-PKS13 , myctu-Rv3802c |
| Title : Development of a Novel Lead that Targets M. tuberculosis Polyketide Synthase 13 - Aggarwal_2017_Cell_170_249 |
| Author(s) : Aggarwal A , Parai MK , Shetty N , Wallis D , Woolhiser L , Hastings C , Dutta NK , Galaviz S , Dhakal RC , Shrestha R , Wakabayashi S , Walpole C , Matthews D , Floyd D , Scullion P , Riley J , Epemolu O , Norval S , Snavely T , Robertson GT , Rubin EJ , Ioerger TR , Sirgel FA , van der Merwe R , van Helden PD , Keller P , Bottger EC , Karakousis PC , Lenaerts AJ , Sacchettini JC |
| Ref : Cell , 170 :249 , 2017 |
| PubMedID: 28669536 |
| Gene_locus related to this paper: myctu-PKS13 |
| Title : Synthesis and evaluation of new 2-aminothiophenes against Mycobacterium tuberculosis - Thanna_2016_Org.Biomol.Chem_14_6119 |
| Author(s) : Thanna S , Knudson SE , Grzegorzewicz A , Kapil S , Goins CM , Ronning DR , Jackson M , Slayden RA , Sucheck SJ |
| Ref : Org Biomol Chem , 14 :6119 , 2016 |
| PubMedID: 27251120 |
| Gene_locus related to this paper: myctu-PKS13 |
| Title : The polyketide synthase Pks13 catalyzes a novel mechanism of lipid transfer in mycobacteria - Gavalda_2014_Chem.Biol_21_1660 |
| Author(s) : Gavalda S , Bardou F , Laval F , Bon C , Malaga W , Chalut C , Guilhot C , Mourey L , Daffe M , Quemard A |
| Ref : Chemical Biology , 21 :1660 , 2014 |
| PubMedID: 25467124 |
| Gene_locus related to this paper: myctu-PKS13 |
| Title : Antituberculosis thiophenes define a requirement for Pks13 in mycolic acid biosynthesis - Wilson_2013_Nat.Chem.Biol_9_499 |
| Author(s) : Wilson R , Kumar P , Parashar V , Vilcheze C , Veyron-Churlet R , Freundlich JS , Barnes SW , Walker JR , Szymonifka MJ , Marchiano E , Shenai S , Colangeli R , Jacobs WR, Jr. , Neiditch MB , Kremer L , Alland D |
| Ref : Nat Chemical Biology , 9 :499 , 2013 |
| PubMedID: 23770708 |
| Gene_locus related to this paper: myctu-PKS13 |
| Title : Biochemical and structural study of the atypical acyltransferase domain from the mycobacterial polyketide synthase Pks13 - Bergeret_2012_J.Biol.Chem_287_33675 |
| Author(s) : Bergeret F , Gavalda S , Chalut C , Malaga W , Quemard A , Pedelacq JD , Daffe M , Guilhot C , Mourey L , Bon C |
| Ref : Journal of Biological Chemistry , 287 :33675 , 2012 |
| PubMedID: 22825853 |
| Gene_locus related to this paper: myctu-PKS13 |
| Title : Proteogenomic analysis of Mycobacterium tuberculosis by high resolution mass spectrometry - Kelkar_2011_Mol.Cell.Proteomics_10_M111.011627 |
| Author(s) : Kelkar DS , Kumar D , Kumar P , Balakrishnan L , Muthusamy B , Yadav AK , Shrivastava P , Marimuthu A , Anand S , Sundaram H , Kingsbury R , Harsha HC , Nair B , Prasad TS , Chauhan DS , Katoch K , Katoch VM , Chaerkady R , Ramachandran S , Dash D , Pandey A |
| Ref : Mol Cell Proteomics , 10 :M111 011627 , 2011 |
| PubMedID: 21969609 |
| Gene_locus related to this paper: myctu-ephA , myctu-ephB , myctu-ephd , myctu-linb , myctu-MBTB , myctu-PKS13 , myctu-Rv1833c , myctu-RV2296 , myctu-RV2695 , myctu-RV2765 |
| Title : The Pks13\/FadD32 crosstalk for the biosynthesis of mycolic acids in Mycobacterium tuberculosis - Gavalda_2009_J.Biol.Chem_284_19255 |
| Author(s) : Gavalda S , Leger M , van der Rest B , Stella A , Bardou F , Montrozier H , Chalut C , Burlet-Schiltz O , Marrakchi H , Daffe M , Quemard A |
| Ref : Journal of Biological Chemistry , 284 :19255 , 2009 |
| PubMedID: 19436070 |
| Gene_locus related to this paper: myctu-PKS13 |
| Title : The dual function of the Mycobacterium tuberculosis FadD32 required for mycolic acid biosynthesis - Leger_2009_Chem.Biol_16_510 |
| Author(s) : Leger M , Gavalda S , Guillet V , van der Rest B , Slama N , Montrozier H , Mourey L , Quemard A , Daffe M , Marrakchi H |
| Ref : Chemical Biology , 16 :510 , 2009 |
| PubMedID: 19477415 |
| Gene_locus related to this paper: myctu-PKS13 |
| Title : The nonredundant roles of two 4'-phosphopantetheinyl transferases in vital processes of Mycobacteria - Chalut_2006_Proc.Natl.Acad.Sci.U.S.A_103_8511 |
| Author(s) : Chalut C , Botella L , de Sousa-D'Auria C , Houssin C , Guilhot C |
| Ref : Proc Natl Acad Sci U S A , 103 :8511 , 2006 |
| PubMedID: 16709676 |
| Gene_locus related to this paper: myctu-PKS13 |