4BWL

Structure of the Y137A mutant of E. coli N-acetylneuraminic acid lyase in complex with pyruvate, N-acetyl-D-mannosamine and N- acetylneuraminic acid

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, D (A, B, D)	N-ACETYLNEURAMINATE LYASE	polymer	304	33492.3	3	UniProt (P0A6L4) Pfam (PF00701)	ESCHERICHIA COLI	N-ACETYLNEURAMINATE PYRUVATE-LYASE, N-ACETYLNEURAMINIC ACID ALDOLASE, NALASE, SIALATE LYASE, SIALIC ACID ALDOLASE, SIALIC ACID LYASE, N-ACETYLNEURAMINIC ACID LYASE
2	C (C)	N-ACETYLNEURAMINATE LYASE	polymer	304	33561.3	1	UniProt (P0A6L4) Pfam (PF00701)	ESCHERICHIA COLI	N-ACETYLNEURAMINATE PYRUVATE-LYASE, N-ACETYLNEURAMINIC ACID ALDOLASE, NALASE, SIALATE LYASE, SIALIC ACID ALDOLASE, SIALIC ACID LYASE, N-ACETYLNEURAMINIC ACID LYASE
3	E, F, J (A, B, D)	5-(acetylamino)-3,5-dideoxy-D-glycero-D-galacto-non-2-ulosonic acid	non-polymer		309.3	3	Chemie (SI3)
4	G, I (B, C)	PENTAETHYLENE GLYCOL	non-polymer		238.3	2	Chemie (1PE)
5	H (C)	2-(ACETYLAMINO)-2-DEOXY-D-MANNOSE	non-polymer		221.2	1	Chemie (MN9)
6	K, L, M, N (A, B, C, D)	water	water		18.0	102	Chemie (HOH)

Sequence modifications

A, B, 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
Ala 137	Tyr 137	engineered mutation

C: 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
Ala 137	Tyr 137	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	134038.1
Non-Polymers*	Number of molecules	6
	Total formula weight	1625.6
All*	Total formula weight	135663.7

*Water molecules are not included.