4OON

Crystal structure of PBP1a in complex with compound 17 ((4Z,8S,11E,14S)-5-(2-amino-1,3-thiazol-4-yl)-14-(5,6-dihydroxy-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-8-formyl-2-methyl-6-oxo-3,10-dioxa-4,7,11-triazatetradeca-4,11-diene-2,12,14-tricarboxylic acid)

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Penicillin-binding protein 1A	polymer	795	88379.7	1	UniProt (Q07806) Pfam (PF00912) Pfam (PF17092) Pfam (PF00905) In PDB	Pseudomonas aeruginosa PAO1	PBP-1a, PBP1a, Penicillin-insensitive transglycosylase, Peptidoglycan TGase, Penicillin-sensitive transpeptidase, DD-transpeptidase
2	A	(4Z,8S,11E,14S)-5-(2-amino-1,3-thiazol-4-yl)-14-(5,6-dihydroxy-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-8-formyl-2-methyl-6-oxo-3,10-dioxa-4,7,11-triazatetradeca-4,11-diene-2,12,14-tricarboxylic acid	non-polymer		664.6	1	Chemie (2U4)
3		water	water		18.0	2	Chemie (HOH)

Sequence modifications

A: 36 - 822 (UniProt: Q07806)

PDB	External Database	Details
Met 28	-	initiating methionine
Ser 29	-	expression tag
His 30	-	expression tag
His 31	-	expression tag
His 32	-	expression tag
His 33	-	expression tag
His 34	-	expression tag
His 35	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	88379.7
Non-Polymers*	Number of molecules	1
	Total formula weight	664.6
All*	Total formula weight	89044.3

*Water molecules are not included.