4YTT

Crystal structure of D-tagatose 3-epimerase C66S from Pseudomonas cichorii in complex with 6-deoxy L-psicose

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, H, K, M (A, B, C, D)	MANGANESE (II) ION	non-polymer		54.9	4	Chemie (MN) PubChem (27854)
3	F, I, L, N (A, B, C, D)	6-deoxy-L-psicose	non-polymer		164.2	4	Chemie (PUD) PubChem (841) PubChem (439330) PubChem (25032978) PubChem (25032979) PubChem (25032980) PubChem (25032981) PubChem (6857362) PubChem (11744963) PubChem (14461866) PubChem (172013643)
4	G, J, O (A, B, D)	6-deoxy-alpha-L-psicofuranose	non-polymer		164.2	3	Chemie (PUF) PubChem (16214822) PubChem (18632306) PubChem (21634885) PubChem (21634886) PubChem (21634887) PubChem (11446521) PubChem (11829765) PubChem (15559439) PubChem (15559440) PubChem (15559441) PubChem (15559442) PubChem (118797267) PubChem (102085561) PubChem (132942942) PubChem (133617479) PubChem (139498414) PubChem (168356966) PubChem (153698151) PubChem (173825476) PubChem (121296406) PubChem (147233486) PubChem (168366552) PubChem (168366588) PubChem (168367457) PubChem (168375029) PubChem (173101488)
5	P, Q, R, S (A, B, C, D)	water	water		18.0	1353	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	11
	Total formula weight	1368.8
All*	Total formula weight	136803.3

*Water molecules are not included.