Brand  (β version)

PDB ID: 5V42

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Ligands
Code Name Style Show Link
I66 Ethyl 5-hydroxy-2-phenyl-4-(pyrrolidin-1-ylmethyl)-1-benzofuran-3-carboxylate PoSSuM
Non-standard Residues
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Glycosylation
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Structure summary

Code : 5V42   PDBj   RCSB PDB   PDBe
Header : TRANSFERASE/TRANSFERASE INHIBITOR
Title : Crystal Structure of Mtb Pks13 Thioesterase domain in complex with inhibitor TAM3
Release Data : 2017-07-05
Compound :
mol_id molecule chains
1 Polyketide synthase Pks13 (Termination polyketide synthase) A,B
ec: 2.7.7.-
fragment: thioesterase domain (UNP residues 113-395)
Source :
mol_id organism_scientific expression_system
1 Mycobacterium tuberculosis  (taxid:1773) Escherichia coli BL21(DE3)  (taxid:469008)
gene: pks, ERS027654_02263
expression_system_vector_type: plasmid
Authors : Aggarwal, A., Sacchettini, J.C.
Keywords : Thioesterase domain, TAM3 complex, Pks13, Mycobacterium, polyketide synthase, mycolic acid condensation, TB Structural Genomics Consortium, TBSGC, alpha/beta hydrolase, thioesterase, TRANSFERASE-TRANSFERASE INHIBITOR complex
Exp. method : X-RAY DIFFRACTION ( 1.9870 Å )
Citation :

Development of a Novel Lead that Targets M. tuberculosis Polyketide Synthase 13.

Aggarwal, A.,Parai, M.K.,Shetty, N.  et al.
(2017)  Cell  170 : 249 - 259.e25

PubMed: 28669536
DOI: 10.1016/j.cell.2017.06.025

Reaction

Chain : A, B
UniProt : A0A0T9CRX1
Reaction : -