4WF7

Crystal structures of trehalose synthase from Deinococcus radiodurans reveal that a closed conformation is involved in the intramolecular isomerization catalysis

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)	Trehalose synthase	polymer	571	64944.8	4	UniProt (I3NX86) Pfam (PF00128) Pfam (PF16657)	Deinococcus radiodurans R1
2	E, I, L, O (A, B, C, D)	CALCIUM ION	non-polymer		40.1	4	Chemie (CA)
3	F, J, M, P (A, B, C, D)	MAGNESIUM ION	non-polymer		24.3	4	Chemie (MG)
4	G, H, K, N, Q (A, B, C, D)	2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL	non-polymer		122.1	5	Chemie (TRS)
5	R, S, T, U (A, B, C, D)	water	water		18.0	1149	Chemie (HOH)

Sequence modifications

A, B, C, D: 2 - 552 (UniProt: I3NX86)

PDB	External Database	Details
Met -1	-	expression tag
Val 0	-	expression tag
Pro 1	-	expression tag
Trp 97	Arg 97	engineered mutation
Ala 253	Asn 253	engineered mutation
Ile 313	Thr 313	engineered mutation
Val 380	Ile 380	engineered mutation
Ser 553	-	expression tag
Arg 554	-	expression tag
Val 555	-	expression tag
Asp 556	-	expression tag
Lys 557	-	expression tag
Leu 558	-	expression tag
Ala 559	-	expression tag
Ala 560	-	expression tag
Ala 561	-	expression tag
Leu 562	-	expression tag
Glu 563	-	expression tag
His 564	-	expression tag
His 565	-	expression tag
His 566	-	expression tag
His 567	-	expression tag
His 568	-	expression tag
His 569	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	259779.3
Non-Polymers*	Number of molecules	13
	Total formula weight	868.2
All*	Total formula weight	260647.5

*Water molecules are not included.