4UUI

A case study for twinned data analysis: multiple crystal forms of the enzyme N-acetyl-neuraminic lyase

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	N-ACETYLNEURAMINATE LYASE	polymer	304	33622.4	4	UniProt (P0A6L4) Pfam (PF00701) In PDB	ESCHERICHIA COLI	N-ACETYLNEURAMINATE PYRUVATE-LYASE, N-ACETYLNEURAMINIC ACID ALDOLASE, NALASE, SIALATE LYASE, SIALIC ACID ALDOLASE, SIALIC ACID LYASE, N-ACETYLNEURAMINIC ACID LYASE
2	A, B, C, D	PYRUVIC ACID	non-polymer		88.1	4	Chemie (PYR)
3	B	SODIUM ION	non-polymer		23.0	1	Chemie (NA)
4	B, D	PENTAETHYLENE GLYCOL	non-polymer		238.3	2	Chemie (1PE)
5		water	water		18.0	745	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
Phe 137	Tyr 137	engineered mutation
Asn 192	Glu 192	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	134489.6
Non-Polymers*	Number of molecules	7
	Total formula weight	851.8
All*	Total formula weight	135341.4

*Water molecules are not included.