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Pantothenate synthetase (PS) catalyzes the ATP-dependent condensation of pantoate and β-alanine to form pantothenate. Pantothenate (vitamin B5) biosynthesis is essential for the virulence of Mycobacterium tuberculosis thus its blockage can be used as a potential drug target.

Contents 1 3D structures of pantothenate synthetase 1.1 PS binary complex with adenosine derivatives 1.2 PS binary complex with pantoate derivatives 1.3 PS binary complex with inhibitor 1.4 PS ternary complex

3D structures of pantothenate synthetase

Updated on 02-April-2014

1iho – EcPS – Escherichia coli
1mop, 2a88, 3cov – MtPS (mutant) – Mycobacterium tuberculosis
1ufv - TtPS (mutant) – Thermus thermophilus
1v8f - TtPS
2ejc - PS – Thermotoga maritima
3mue - PS – Salmonella typhimurium
3mxt - CjPS – Campylobacter jejuni
3ag5 - SaPS – Staphylococcus aureus

PS binary complex with adenosine derivatives

1n2g - MtPS + AMPCPP
2a7x - MtPS (mutant) + AMP
3n8h - FtPS + AMP – Francisella tularensis
3q10 - YpPS + AMP – Yersinia pestis
3uk2 - PS + AMP – Burkholderia thailandesis
2a84 - MtPS (mutant) + ATP
2x3f - SaPS + ATP derivative
3inn - PS + ATP – Brucella melitensis
3iob, 3ioc, 3iod, 3ioe - MtPS (mutant) + adenosine derivative

PS binary complex with pantoate derivatives

1n2i - MtPS (mutant) + pantoyl adenylate
1n2j - MtPS (mutant) + pantoate
1n2o - MtPS (mutant) + β-alanine
3q12 - YpPS + pantoate
3ag6 - SaPS + pantoyl adenylate
3guz - EcPS (mutant) + pantoate

PS binary complex with inhibitor

3cow, 3coy, 3coz, 3imc, 3ime, 3img, 3iub, 3iue, 3ivc, 3ivg, 3ivx, 3isj, 3le8, 4ddh, 4ddk, 4ddm, 4de5, 4ef6, 4efk, 4fzj, 4g5f - MtPS (mutant) + inhibitor

PS ternary complex

2a86 - MtPS (mutant) + β-alanine + AMP
4g5y - MtPS (mutant) + thiophene derivative + ATP
3uy4 - CjPS + pantothenate + AMP
3qtt - FtPS + β-alanine + ATP derivative
1n2b, 1n2e – MtPS + pantoate + AMPCPP