3R2U

2.1 Angstrom Resolution Crystal Structure of Metallo-beta-lactamase from Staphylococcus aureus subsp. aureus COL

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C, D	Metallo-beta-lactamase family protein	polymer	466	52212.1	4	UniProt (Q5HJV1) Pfam (PF00753) Pfam (PF00581) UniProt (by SIFTS) (A0A0H2X0Y8) In PDB	Staphylococcus aureus
2	A, B, C, D	FE (III) ION	non-polymer		55.8	4	Chemie (FE)
3	B, C, D	MAGNESIUM ION	non-polymer		24.3	5	Chemie (MG)
4	B	CHLORIDE ION	non-polymer		35.5	1	Chemie (CL)
5		water	water		18.0	1214	Chemie (HOH)

Sequence modifications

A, B, C, D: 1 - 442 (UniProt: Q5HJV1)

PDB	External Database	Details
Met -23	-	expression tag
His -22	-	expression tag
His -21	-	expression tag
His -20	-	expression tag
His -19	-	expression tag
His -18	-	expression tag
His -17	-	expression tag
Ser -16	-	expression tag
Ser -15	-	expression tag
Gly -14	-	expression tag
Val -13	-	expression tag
Asp -12	-	expression tag
Leu -11	-	expression tag
Gly -10	-	expression tag
Thr -9	-	expression tag
Glu -8	-	expression tag
Asn -7	-	expression tag
Leu -6	-	expression tag
Tyr -5	-	expression tag
Phe -4	-	expression tag
Gln -3	-	expression tag
Ser -2	-	expression tag
Asn -1	-	expression tag
Ala 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	208848.4
Non-Polymers*	Number of molecules	10
	Total formula weight	380.4
All*	Total formula weight	209228.8

*Water molecules are not included.