3UDX

Crystal structure of Acinetobacter baumannii PBP1a in complex with Imipenem

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	(5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carboxylic acid	non-polymer		301.4	2	Chemie (IM2)
3		water	water		18.0	325	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	602.7
All*	Total formula weight	164376.5

*Water molecules are not included.