4DG9

Structure of holo-PA1221, an NRPS protein containing adenylation and PCP domains bound to vinylsulfonamide inhibitor

Summary for 4DG9

Entry DOI	10.2210/pdb4dg9/pdb
Related	4DG8
Descriptor	PA1221, 5'-({[(2R,3R)-3-amino-2-{[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-{[oxido(oxo)phosphonio]oxy}butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}-4-methylpentyl]sulfonyl}amino)-5'-deoxyadenosine (3 entities in total)
Functional Keywords	anl superfamily, adenylation domain, peptidyl carrier protein, non-ribosomal peptide synthetase, nrps, pantetheine, vinylsulfonamide, valine adenylation, ligase-inhibitor complex, ligase/inhibitor
Biological source	Pseudomonas aeruginosa
Total number of polymer chains	1
Total formula weight	68643.30
Authors	Mitchell, C.A.,Shi, C.,Aldrich, C.C.,Gulick, A.M. (deposition date: 2012-01-25, release date: 2012-05-02, Last modification date: 2023-09-13)
Primary citation	Mitchell, C.A.,Shi, C.,Aldrich, C.C.,Gulick, A.M. Structure of PA1221, a Nonribosomal Peptide Synthetase Containing Adenylation and Peptidyl Carrier Protein Domains. Biochemistry, 51:3252-3263, 2012 Cited by PubMed: 22452656 DOI: 10.1021/bi300112e PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.55 Å)

Structure validation