5ZYB

Crystal structure of MOX-1 complexed with a boronic acid transition state inhibitor S02030

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Beta-lactamase	polymer	380	40589.9	1	UniProt (Q51578) Pfam (PF00144) In PDB	Klebsiella pneumoniae
2	A	1-{(2R)-2-(dihydroxyboranyl)-2-[(thiophen-2-ylacetyl)amino]ethyl}-1H-1,2,3-triazole-4-carboxylic acid	non-polymer		324.1	1	Chemie (ZXM)
3	A	ACETATE ION	non-polymer		59.0	8	Chemie (ACT)
4	A	ZINC ION	non-polymer		65.4	11	Chemie (ZN)
5		water	water		18.0	186	Chemie (HOH)

Sequence modifications

A: 1 - 359 (UniProt: Q51578)

PDB	External Database	Details
Met -20	-	expression tag
Gly -19	-	expression tag
Ser -18	-	expression tag
Ser -17	-	expression tag
His -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
Ser -10	-	expression tag
Ser -9	-	expression tag
Gly -8	-	expression tag
Leu -7	-	expression tag
Val -6	-	expression tag
Pro -5	-	expression tag
Arg -4	-	expression tag
Gly -3	-	expression tag
Ser -2	-	expression tag
His -1	-	expression tag
Met 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	40589.9
Non-Polymers*	Number of molecules	20
	Total formula weight	1516.0
All*	Total formula weight	42105.9

*Water molecules are not included.