9ENX

Enmetazobactam-Derived GES-1 Acyl-Enzyme

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)	beta-lactamase	polymer	289	31469.6	2	UniProt (Q9KJY7) Pfam (PF00144) Pfam (PF13354) UniProt (by SIFTS) (Q09HD0)	Klebsiella pneumoniae
2	C, H (A, B)	4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID	non-polymer		238.3	2	Chemie (EPE)
3	D, E, F (A)	(4S)-2-METHYL-2,4-PENTANEDIOL	non-polymer		118.2	3	Chemie (MPD)
4	G, I (A, B)	Enmetazobactam derived trans-enamine adduct	non-polymer		333.3	2	Chemie (M9W)
5	J, K (A, B)	water	water		18.0	611	Chemie (HOH)

Sequence modifications

A, B: 18 - 287 (UniProt: Q9KJY7)

PDB	External Database	Details
Met -1	-	initiating methionine
Ala 0	-	expression tag
His 1	-	expression tag
His 2	-	expression tag
His 3	-	expression tag
His 4	-	expression tag
His 5	-	expression tag
His 6	-	expression tag
Ser 7	-	expression tag
Ser 8	-	expression tag
Gly 9	-	expression tag
Leu 10	-	expression tag
Glu 11	-	expression tag
Val 12	-	expression tag
Leu 13	-	expression tag
Phe 14	-	expression tag
Gln 15	-	expression tag
Gly 16	-	expression tag
Pro 17	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	62939.1
Non-Polymers*	Number of molecules	7
	Total formula weight	1497.8
All*	Total formula weight	64436.9

*Water molecules are not included.