3HUN

Crystal structure of Penicillin binding protein 4 from Staphylococcus aureus COL in complex with Ampicillin

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	Penicillin-binding protein 4	polymer	453	50678.9	2	UniProt (Q5HI26) UniProt (by SIFTS) (A0A0H2WY27)	Staphylococcus aureus
2	C, D (A, B)	(2R,4S)-2-[(R)-{[(2R)-2-amino-2-phenylacetyl]amino}(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid	non-polymer		367.4	2	Chemie (ZZ7) PubChem (6453491) PubChem (6914605) PubChem (11726464) PubChem (53364402) PubChem (100971666) PubChem (101043514) PubChem (76967799) PubChem (76967800) PubChem (100971667) PubChem (101505298) PubChem (101543018) PubChem (131698399) PubChem (145865052) PubChem (163410307)
3	E, F (A, B)	water	water		18.0	298	Chemie (HOH)

Sequence modifications

A, B: 1 - 431 (UniProt: Q5HI26)

PDB	External Database	Details
Met -21	-	expression tag
Gly -20	-	expression tag
Ser -19	-	expression tag
Ser -18	-	expression tag
His -17	-	expression tag
His -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
Ser -11	-	expression tag
Ser -10	-	expression tag
Gly -9	-	expression tag
Leu -8	-	expression tag
Val -7	-	expression tag
Pro -6	-	expression tag
Arg -5	-	expression tag
Gly -4	-	expression tag
Ser -3	-	expression tag
His -2	-	expression tag
Met -1	-	expression tag
Ala 0	-	expression tag
Ser 189	Thr 189	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	101357.9
Non-Polymers*	Number of molecules	2
	Total formula weight	734.8
All*	Total formula weight	102092.7

*Water molecules are not included.