5O7N

Beta-lactamase VIM-2 in complex with (2R)-1-(2-Benzyl-3-mercaptopropanoyl)piperidine-2-carboxylic acid

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 VIM-2	polymer	254	27351.3	2	UniProt (A0A173FE28) Pfam (PF00753)	Klebsiella pneumoniae
2	C, D, E, F, M... (A, B)	ZINC ION	non-polymer		65.4	8	Chemie (ZN)
3	G, Q (A, B)	(2~{R})-1-[(2~{S})-2-(phenylmethyl)-3-sulfanyl-propanoyl]piperidine-2-carboxylic acid	non-polymer		307.4	2	Chemie (9NK)
4	H, I, J, K, R... (A, B)	FORMIC ACID	non-polymer		46.0	8	Chemie (FMT)
5	L, V (A, B)	1,2-ETHANEDIOL	non-polymer		62.1	2	Chemie (EDO)
6	W, X (A, B)	water	water		18.0	338	Chemie (HOH)

Sequence modifications

A, B: 27 - 266 (UniProt: A0A173FE28)

PDB	External Database	Details
Met 13	-	initiating methionine
His 14	-	expression tag
His 15	-	expression tag
His 16	-	expression tag
His 17	-	expression tag
His 18	-	expression tag
His 19	-	expression tag
Glu 20	-	expression tag
Asn 21	-	expression tag
Leu 22	-	expression tag
Tyr 23	-	expression tag
Phe 24	-	expression tag
Gln 25	-	expression tag
Gly 26	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	54702.6
Non-Polymers*	Number of molecules	20
	Total formula weight	1630.4
All*	Total formula weight	56333.0

*Water molecules are not included.