4YTS

Crystal structure of D-tagatose 3-epimerase C66S from Pseudomonas cichorii in complex with 1-deoxy 3-keto D-galactitol

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	300	33858.6	4	UniProt (O50580)	Pseudomonas cichorii
2	E, K, N, R (A, B, C, D)	MANGANESE (II) ION	non-polymer		54.9	4	Chemie (MN) PubChem (27854)
3	F, G, I, J, L... (A, B, C, D)	1-deoxy-D-xylo-hex-3-ulose	non-polymer		164.2	9	Chemie (TGS) PubChem (87246511) PubChem (87259853) PubChem (118797265) PubChem (129711098) PubChem (140684158)
4	H, M, T (A, B, D)	1-deoxy-alpha-D-xylo-hex-3-ulofuranose	non-polymer		164.2	3	Chemie (TGR) PubChem (118797266)
5	U, V, W, X (A, B, C, D)	water	water		18.0	510	Chemie (HOH)

Sequence modifications

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

PDB	External Database	Details
Ser 66	Cys 66	engineered mutation
Gly 291	-	expression tag
Ser 292	-	expression tag
Arg 293	-	expression tag
Ser 294	-	expression tag
His 295	-	expression tag
His 296	-	expression tag
His 297	-	expression tag
His 298	-	expression tag
His 299	-	expression tag
His 300	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	135434.5
Non-Polymers*	Number of molecules	16
	Total formula weight	2189.6
All*	Total formula weight	137624.1

*Water molecules are not included.