4KQR

CRYSTAL STRUCTURE OF PENICILLIN-BINDING PROTEIN 3 FROM PSEUDOMONAS AERUGINOSA IN COMPLEX WITH (5S)-Penicilloic Acid

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Penicillin-binding protein 3	polymer	564	61152.6	2	UniProt (G3XD46) Pfam (PF03717) Pfam (PF00905) In PDB	Pseudomonas aeruginosa
2	A, B	(2S,4S)-2-[(R)-carboxy{[(2R)-2-{[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}-2-phenylacetyl]amino}methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid	non-polymer		535.6	2	Chemie (VPP)
3	A, B	CHLORIDE ION	non-polymer		35.5	5	Chemie (CL)
4	A, B	GLYCEROL	non-polymer		92.1	9	Chemie (GOL)
5	A, B	IMIDAZOLE	non-polymer		69.1	3	Chemie (IMD)
6		water	water		18.0	570	Chemie (HOH)

Sequence modifications

A, B: 35 - 579 (UniProt: G3XD46)

PDB	External Database	Details
Met 16	-	expression tag
Ala 17	-	expression tag
His 18	-	expression tag
His 19	-	expression tag
His 20	-	expression tag
His 21	-	expression tag
His 22	-	expression tag
His 23	-	expression tag
Ser 24	-	expression tag
Ser 25	-	expression tag
Gly 26	-	expression tag
Leu 27	-	expression tag
Glu 28	-	expression tag
Val 29	-	expression tag
Leu 30	-	expression tag
Phe 31	-	expression tag
Gln 32	-	expression tag
Gly 33	-	expression tag
Pro 34	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	122305.2
Non-Polymers*	Number of molecules	19
	Total formula weight	2284.5
All*	Total formula weight	124589.7

*Water molecules are not included.