7ONW

Crystal structure of PBP3 from E. coli in complex with AIC499

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Peptidoglycan D,D-transpeptidase FtsI	polymer	564	61102.6	1	UniProt (P0AD68) Pfam (PF03717) Pfam (PF00905)	Escherichia coli (strain K12)	Essential cell division protein FtsI,Murein transpeptidase,Penicillin-binding protein 3,PBP-3,Peptidoglycan synthase FtsI
2	B (A)	(2S)-2-[(Z)-[1-(2-azanyl-1,3-thiazol-4-yl)-2-[[(2S)-3-methyl-1-oxidanylidene-3-(sulfooxyamino)butan-2-yl]amino]-2-oxidanylidene-ethylidene]amino]oxy-3-[4-[N-[(3R)-piperidin-3-yl]carbamimidoyl]phenoxy]propanoic acid	non-polymer		670.7	1	Chemie (VL5)
3	C, D (A)	PHOSPHATE ION	non-polymer		95.0	2	Chemie (PO4)
4	E, F (A)	(4S)-2-METHYL-2,4-PENTANEDIOL	non-polymer		118.2	2	Chemie (MPD)
5	G (A)	water	water		18.0	6	Chemie (HOH)

Sequence modifications

A: 49 - 588 (UniProt: P0AD68)

PDB	External Database	Details
Met 25	-	initiating methionine
Gly 26	-	expression tag
Ser 27	-	expression tag
Ser 28	-	expression tag
His 29	-	expression tag
His 30	-	expression tag
His 31	-	expression tag
His 32	-	expression tag
His 33	-	expression tag
His 34	-	expression tag
Ser 35	-	expression tag
Ser 36	-	expression tag
Gly 37	-	expression tag
Leu 38	-	expression tag
Val 39	-	expression tag
Pro 40	-	expression tag
Arg 41	-	expression tag
Gly 42	-	expression tag
Ser 43	-	expression tag
His 44	-	expression tag
Met 45	-	expression tag
Ala 46	-	expression tag
Ser 47	-	expression tag
Met 48	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	61102.6
Non-Polymers*	Number of molecules	5
	Total formula weight	1097.0
All*	Total formula weight	62199.6

*Water molecules are not included.