8Z2U

Crystal structure of trehalose synthase mutamt E324D from Deinococcus radiodurans complexed with validoxylamine A (VAA)

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)	maltose alpha-D-glucosyltransferase	polymer	571	64973.8	4	UniProt (I3NX86) Pfam (PF00128) Pfam (PF16657)	Deinococcus radiodurans (strain ATCC 13939 / DSM 20539 / JCM 16871 / CCUG 27074 / LMG 4051 / NBRC 15346 / NCIMB 9279 / VKM B-1422 / R1)	Maltose alpha-D-glucosyltransferase
2	E, H, K, N (A, B, C, D)	CALCIUM ION	non-polymer		40.1	4	Chemie (CA)
3	F, I, L, O (A, B, C, D)	MAGNESIUM ION	non-polymer		24.3	4	Chemie (MG)
4	G, J, M, P (A, B, C, D)	(1S,2S,3R,6S)-4-(HYDROXYMETHYL)-6-{[(1S,2S,3S,4R,5R)-2,3,4-TRIHYDROXY-5-(HYDROXYMETHYL)CYCLOHEXYL]AMINO}CYCLOHEX-4-ENE-1,2,3-TRIOL	non-polymer		335.4	4	Chemie (VDM)

Sequence modifications

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

PDB	External Database	Details
Met -1	-	initiating methionine
Val 0	-	expression tag
Pro 1	-	expression tag
Trp 97	Arg 97	engineered mutation
Ile 313	Thr 313	engineered mutation
Asp 324	Glu 324	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	259895.2
Non-Polymers*	Number of molecules	12
	Total formula weight	1598.9
All*	Total formula weight	261494.2

*Water molecules are not included.