3WNN

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

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Cycloisomaltooligosaccharide glucanotransferase	polymer	710	79134.1	2	UniProt (P94286) Pfam (PF13199) Pfam (PF16990) In PDB	Bacillus circulans
2	C, E	alpha-D-glucopyranose-(1-6)-alpha-D-glucopyranose-(1-6)-alpha-D-glucopyranose-(1-6)-alpha-D-glucopyranose-(1-6)-alpha-D-glucopyranose-(1-6)-alpha-D-glucopyranose-(1-6)-alpha-D-glucopyranose-(1-6)-beta-D-glucopyranose	branched		1315.1	2	In PDB GlyTouCan (G35793BK)
3	D	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	F	alpha-D-glucopyranose-(1-6)-alpha-D-glucopyranose-(1-6)-alpha-D-glucopyranose-(1-6)-alpha-D-glucopyranose-(1-6)-alpha-D-glucopyranose	branched		828.7	1	In PDB GlyTouCan (G09161MH)
5	A, B	CALCIUM ION	non-polymer		40.1	2	Chemie (CA)
6	A, B	SODIUM ION	non-polymer		23.0	2	Chemie (NA)
7	A, B	SULFATE ION	non-polymer		96.1	11	Chemie (SO4)
8	A, B	2-(N-MORPHOLINO)-ETHANESULFONIC ACID	non-polymer		195.2	2	Chemie (MES)
9		water	water		18.0	471	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	4
	Total formula weight	4125.6
Non-Polymers*	Number of molecules	17
	Total formula weight	1573.3
All*	Total formula weight	163967.2

*Water molecules are not included.