4A2S

Structure of the engineered retro-aldolase RA95.5

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	INDOLE-3-GLYCEROL PHOSPHATE SYNTHASE	polymer	258	29749.3	1	UniProt (Q06121) Pfam (PF00218)	SULFOLOBUS SOLFATARICUS	IGPS, ENGINEERED RETRO-ALDOL ENZYME RA95.5-5
2	B, C (A)	1-(6-METHOXYNAPHTHALEN-2-YL)BUTANE-1,3-DIONE	non-polymer		242.3	2	Chemie (3NK)
3	D (A)	water	water		18.0	208	Chemie (HOH)

Sequence modifications

A: 1 - 245 (UniProt: Q06121)

PDB	External Database	Details
Glu 10	Lys 10	engineered mutation
Val 22	Phe 22	engineered mutation
Tyr 51	Glu 51	engineered mutation
Ser 53	Lys 53	engineered mutation
Lys 83	Leu 83	engineered mutation
Ser 110	Lys 110	engineered mutation
Leu 159	Glu 159	engineered mutation
Phe 180	Asn 180	engineered mutation
Met 182	Arg 182	engineered mutation
Asn 183	Asp 183	engineered mutation
Phe 184	Leu 184	engineered mutation
Lys 210	Glu 210	engineered mutation
Leu 211	Ser 211	engineered mutation
Ser 233	Gly 233	engineered mutation
Leu 246	-	expression tag
Ile 247	-	expression tag
Glu 248	-	expression tag
Gly 249	-	expression tag
Ser 250	-	expression tag
Leu 251	-	expression tag
Glu 252	-	expression tag
His 253	-	expression tag
His 254	-	expression tag
His 255	-	expression tag
His 256	-	expression tag
His 257	-	expression tag
His 258	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	29749.3
Non-Polymers*	Number of molecules	2
	Total formula weight	484.5
All*	Total formula weight	30233.8

*Water molecules are not included.