3UE1

Crystal strucuture of Acinetobacter baumanni PBP1A in complex with MC-1

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 1a	polymer	731	81886.9	2	UniProt (G1C794) Pfam (PF00912) Pfam (PF17092) Pfam (PF00905) In PDB	Acinetobacter baumannii
2	A, B	(4S,7Z)-7-(2-amino-1,3-thiazol-4-yl)-1-[({4-[(2R)-2,3-dihydroxypropyl]-3-(4,5-dihydroxypyridin-2-yl)-5-oxo-4,5-dihydro- 1H-1,2,4-triazol-1-yl}sulfonyl)amino]-4-formyl-10,10-dimethyl-1,6-dioxo-9-oxa-2,5,8-triazaundec-7-en-11-oate	non-polymer		715.6	2	Chemie (UE1)
3		water	water		18.0	237	Chemie (HOH)

Sequence modifications

A, B: 25 - 739 (UniProt: G1C794)

PDB	External Database	Details
Met 9	-	expression tag
His 10	-	expression tag
His 11	-	expression tag
His 12	-	expression tag
His 13	-	expression tag
His 14	-	expression tag
His 15	-	expression tag
Glu 16	-	expression tag
Asn 17	-	expression tag
Leu 18	-	expression tag
Tyr 19	-	expression tag
Phe 20	-	expression tag
Gln 21	-	expression tag
Ser 22	-	expression tag
His 23	-	expression tag
Met 24	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	163773.8
Non-Polymers*	Number of molecules	2
	Total formula weight	1431.3
All*	Total formula weight	165205.1

*Water molecules are not included.