3VFH

BlaC E166A CDC-1 Acyl-Intermediate

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 (A, B, C, D)	Beta-lactamase	polymer	285	30489.1	4	UniProt (P0C5C1) Pfam (PF00144) Pfam (PF13354) UniProt (by SIFTS) (P9WKD3)	Mycobacterium tuberculosis	Penicillinase
2	E, F, G, I, K... (A, B, C, D)	PHOSPHATE ION	non-polymer		95.0	7	Chemie (PO4)
3	H, J (B, C)	(2R)-5-methylidene-2-{(1R)-2-oxo-1-[(phenylacetyl)amino]ethyl}-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid	non-polymer		332.4	2	Chemie (CD6)
4	N, O, P, Q (A, B, C, D)	water	water		18.0	114	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	9
	Total formula weight	1329.5
All*	Total formula weight	123285.8

*Water molecules are not included.