2WPB

Crystal structure of the E192N mutant of E. Coli N-acetylneuraminic acid lyase in complex with pyruvate and the inhibitor (2R,3R)-2,3,4- trihydroxy-N,N-dipropylbutanamide in space group P21 crystal form I

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)	N-ACETYLNEURAMINATE LYASE	polymer	304	33638.4	4	UniProt (P0A6L4) Pfam (PF00701)	ESCHERICHIA COLI	N-ACETYL-NEURAMINIC ACID LYASE, N-ACETYLNEURAMINIC ACID ALDOLASE, N-ACETYLNEURAMINATE PYRUVATE-LYASE, SIALIC ACID LYASE, SIALATE LYASE, SIALIC ACID ALDOLASE, NALASE
2	E, F, G, H (A, B, C, D)	(2R,3R)-2,3,4-TRIHYDROXY-N,N-DIPROPYLBUTANAMIDE	non-polymer		219.3	4	Chemie (ZZI)
3	I, J, K, L (A, B, C, D)	water	water		18.0	540	Chemie (HOH)

Sequence modifications

A, B, C, D: 2 - 297 (UniProt: P0A6L4)

PDB	External Database	Details
Met -6	-	expression tag
Glu -5	-	expression tag
His -4	-	expression tag
His -3	-	expression tag
His -2	-	expression tag
His -1	-	expression tag
His 0	-	expression tag
His 1	-	expression tag
Asn 192	Glu 192	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	134553.6
Non-Polymers*	Number of molecules	4
	Total formula weight	877.1
All*	Total formula weight	135430.7

*Water molecules are not included.