8VBW

Structure of the monofunctional Staphylococcus aureus PBP1 in its beta-lactam (Ertapenem) inhibited form

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 1	polymer	595	66644.3	2	UniProt (Q2FZ94) Pfam (PF03717) Pfam (PF00905)	Staphylococcaceae bacterium
2	C, D (A, B)	(4R,5S)-3-({(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl}sulfanyl)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-4-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid	non-polymer		477.5	2	Chemie (1RG)
3	E, F (A, B)	water	water		18.0	314	Chemie (HOH)

Sequence modifications

A, B: 39 - 608 (UniProt: Q2FZ94)

PDB	External Database	Details
Met 14	-	initiating methionine
Gly 15	-	expression tag
Ser 16	-	expression tag
Ser 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
His 24	-	expression tag
His 25	-	expression tag
His 26	-	expression tag
His 27	-	expression tag
Ser 28	-	expression tag
Ser 29	-	expression tag
Gly 30	-	expression tag
Leu 31	-	expression tag
Val 32	-	expression tag
Pro 33	-	expression tag
Arg 34	-	expression tag
Gly 35	-	expression tag
Ser 36	-	expression tag
His 37	-	expression tag
Met 38	-	expression tag
Asp 118	Asn 118	conflict

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	133288.5
Non-Polymers*	Number of molecules	2
	Total formula weight	955.1
All*	Total formula weight	134243.6

*Water molecules are not included.