7P76

Re-engineered 2-deoxy-D-ribose-5-phosphate aldolase catalysing asymmetric Michael addition reactions, Schiff base complex with cinnamaldehyde

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, E... (A, B, C, D, E...)	Deoxyribose-phosphate aldolase	polymer	267	28683.7	12	UniProt (V0AAC4)	Escherichia coli 909945-2	DERA,2-deoxy-D-ribose 5-phosphate aldolase,Phosphodeoxyriboaldolase,Deoxyriboaldolase
2	M, N, O, P, Q... (A, B, C, D, E...)	(2E)-3-phenylprop-2-enal	non-polymer		132.2	12	Chemie (9Y6)
3	V (I)	GLYCEROL	non-polymer		92.1	1	Chemie (GOL)
4	AA, BA, CA, DA, EA... (B, C, D, E, F...)	water	water		18.0	1275	Chemie (HOH)

Sequence modifications

A, B, C, D, E, F, G, H, I, J, K, L: 1 - 259 (UniProt: V0AAC4)

PDB	External Database	Details
Ser 18	Thr 18	engineered mutation
Gly 22	Asp 22	engineered mutation
Tyr 24	Asp 24	engineered mutation
Ser 47	Cys 47	engineered mutation
Ser 52	Phe 52	engineered mutation
Ser 142	Thr 142	engineered mutation
Leu 172	Lys 172	engineered mutation
Ser 197	Thr 197	engineered mutation
Val 202	Pro 202	engineered mutation
Thr 203	Ala 203	engineered mutation
Ala 206	Val 206	engineered mutation
Gly 239	Ser 239	engineered mutation
Leu 260	-	expression tag
Glu 261	-	expression tag
His 262	-	expression tag
His 263	-	expression tag
His 264	-	expression tag
His 265	-	expression tag
His 266	-	expression tag
His 267	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	12
	Total formula weight	344204.9
Non-Polymers*	Number of molecules	13
	Total formula weight	1678.0
All*	Total formula weight	345882.9

*Water molecules are not included.