4PGL

Crystal structure of engineered D-tagatose 3-epimerase PcDTE-ILS6

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)	D-tagatose 3-epimerase	polymer	298	33828.5	4	UniProt (O50580) Pfam (PF01261)	Pseudomonas cichorii
2	E, J, K, O, S (A, B, C, D)	MANGANESE (II) ION	non-polymer		54.9	5	Chemie (MN)
3	F, N, R, V (A, B, C, D)	L-sorbose	non-polymer		180.2	4	Chemie (SOL)
4	G, H, L, P, T (A, B, C, D)	alpha-L-sorbopyranose	non-polymer		180.2	5	Chemie (SOE)
5	I, M, Q, U (A, B, C, D)	L-tagatose	non-polymer		180.2	4	Chemie (LTG)
6	W, X, Y, Z (A, B, C, D)	water	water		18.0	367	Chemie (HOH)

Sequence modifications

A, B, C, D: 1 - 290 (UniProt: O50580)

PDB	External Database	Details
Ser 9	Thr 9	engineered mutation
Ser 39	Gly 39	engineered mutation
Asn 109	Thr 109	engineered mutation
His 116	Ser 116	engineered mutation
Val 122	Lys 122	engineered mutation
Ala 153	Val 153	engineered mutation
Tyr 157	Phe 157	engineered mutation
His 183	Gln 183	engineered mutation
Asn 194	Thr 194	engineered mutation
Gln 215	Ala 215	engineered mutation
Ile 245	Met 245	engineered mutation
Thr 251	Lys 251	engineered mutation
Cys 260	Gly 260	engineered mutation
Leu 265	Met 265	engineered mutation
Leu 291	-	expression tag
Glu 292	-	expression tag
His 293	-	expression tag
His 294	-	expression tag
His 295	-	expression tag
His 296	-	expression tag
His 297	-	expression tag
His 298	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	135314.1
Non-Polymers*	Number of molecules	18
	Total formula weight	2616.7
All*	Total formula weight	137930.8

*Water molecules are not included.