3WNP

D308A, F268V, D469Y, A513V, and Y515S quintuple mutant of Bacillus circulans T-3040 cycloisomaltooligosaccharide glucanotransferase complexed with isomaltoundecaose

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	79086.1	2	UniProt (P94286) Pfam (PF13199) Pfam (PF16990)	Bacillus circulans
2	C, D (C, D)	alpha-D-glucopyranose-(1-6)-alpha-D-glucopyranose-(1-6)-alpha-D-glucopyranose-(1-6)-beta-D-glucopyranose	branched		666.6	2	In PDB GlyTouCan (G09397NL)
3	E, N (A, B)	CALCIUM ION	non-polymer		40.1	2	Chemie (CA)
4	F, O (A, B)	SODIUM ION	non-polymer		23.0	2	Chemie (NA)
5	G, H, I, J, K... (A, B)	SULFATE ION	non-polymer		96.1	12	Chemie (SO4)
6	M, V (A, B)	2-(N-MORPHOLINO)-ETHANESULFONIC ACID	non-polymer		195.2	2	Chemie (MES)
7	W, X (A, B)	water	water		18.0	165	Chemie (HOH)

Sequence modifications

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

PDB	External Database	Details
Met 37	-	expression tag
Gly 38	-	expression tag
Val 268	Phe 268	engineered mutation
Phe 278	Ser 278	SEE REMARK 999
Ala 308	Asp 308	engineered mutation
Tyr 469	Asp 469	engineered mutation
Val 513	Ala 513	engineered mutation
Ser 515	Tyr 515	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	158172.3
Branched	Number of molecules	2
	Total formula weight	1333.2
Non-Polymers*	Number of molecules	18
	Total formula weight	1669.4
All*	Total formula weight	161174.8

*Water molecules are not included.