3WNO

D308A mutant of Bacillus circulans T-3040 cycloisomaltooligosaccharide glucanotransferase complexed with cycloisomaltooctaose

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	Cycloisomaltooligosaccharide glucanotransferase	polymer	710	79134.1	2	UniProt (P94286)	Bacillus circulans
2	C, D, E, F (C, D, E, F)	Cyclooctakis-(1-6)-(alpha-D-glucopyranose)	branched		1315.1	4	In PDB GlyTouCan (G77397TU)
3	G (G)	alpha-D-glucopyranose-(1-6)-alpha-D-glucopyranose-(1-6)-alpha-D-glucopyranose-(1-6)-alpha-D-glucopyranose	branched		666.6	1	In PDB GlyTouCan (G80662SX)
4	H, W (A, B)	CALCIUM ION	non-polymer		40.1	2	Chemie (CA)
5	I, X (A, B)	SODIUM ION	non-polymer		23.0	2	Chemie (NA)
6	AA, BA, CA, DA, J... (B, A)	SULFATE ION	non-polymer		96.1	13	Chemie (SO4)
7	EA, FA, GA, HA, Q... (B, A)	1,2-ETHANEDIOL	non-polymer		62.1	9	Chemie (EDO)
8	IA, V (B, A)	2-(N-MORPHOLINO)-ETHANESULFONIC ACID	non-polymer		195.2	2	Chemie (MES)
9	JA, KA (A, B)	water	water		18.0	1226	Chemie (HOH)

Sequence modifications

A, B: 39 - 738 (UniProt: P94286)

PDB	External Database	Details
Met 37	-	expression tag
Gly 38	-	expression tag
Phe 278	Ser 278	SEE REMARK 999
Ala 308	Asp 308	engineered mutation
Leu 739	-	expression tag
Glu 740	-	expression tag
His 741	-	expression tag
His 742	-	expression tag
His 743	-	expression tag
His 744	-	expression tag
His 745	-	expression tag
His 746	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	158268.3
Branched	Number of molecules	5
	Total formula weight	5927.1
Non-Polymers*	Number of molecules	28
	Total formula weight	2324.0
All*	Total formula weight	166519.5

*Water molecules are not included.