3VFF

BlaC E166A CDC-OMe Acyl-Intermediate Complex

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	Beta-lactamase	polymer	285	30489.1	4	UniProt (P0C5C1) Pfam (PF00144) Pfam (PF13354) UniProt (by SIFTS) (P9WKD3) In PDB	Mycobacterium tuberculosis	Penicillinase
2	A, B, C, D	(2R)-2-[(1S)-1-(benzoylamino)-1-methoxy-2-oxoethyl]-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid	non-polymer		348.4	4	Chemie (CD8)
3	B, C, D	PHOSPHATE ION	non-polymer		95.0	3	Chemie (PO4)
4		water	water		18.0	13	Chemie (HOH)

Sequence modifications

A, B, C, D: 29 - 293 (UniProt: P0C5C1)

PDB	External Database	Details
Met 9	-	expression tag
Gly 10	-	expression tag
Ser 11	-	expression tag
Ser 12	-	expression tag
His 13	-	expression tag
His 14	-	expression tag
His 15	-	expression tag
His 16	-	expression tag
His 17	-	expression tag
His 18	-	expression tag
Ser 19	-	expression tag
Ser 20	-	expression tag
Gly 21	-	expression tag
Glu 22	-	expression tag
Asn 23	-	expression tag
Leu 24	-	expression tag
Tyr 25	-	expression tag
Phe 26	-	expression tag
Gln 27	-	expression tag
Gly 28	-	expression tag
Ala 166	Glu 182	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	121956.3
Non-Polymers*	Number of molecules	7
	Total formula weight	1678.4
All*	Total formula weight	123634.7

*Water molecules are not included.