2DIJ

COMPLEX OF A Y195F MUTANT CGTASE FROM B. CIRCULANS STRAIN 251 COMPLEXED WITH A MALTONONAOSE INHIBITOR AT PH 9.8 OBTAINED AFTER SOAKING THE CRYSTAL WITH ACARBOSE AND MALTOHEXAOSE

Replaces:  1DIJ

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	CYCLODEXTRIN GLYCOSYLTRANSFERASE	polymer	686	74559.5	1	UniProt (P43379) Pfam (PF00128) Pfam (PF02806) Pfam (PF01833) Pfam (PF00686) In PDB	Bacillus circulans	CGTASE
2	B	alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose	branched		342.3	1	In PDB BIRD (PRD_900001) GlyTouCan (G07411ON)		alpha-maltose
3	C	alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose	branched		504.4	1	In PDB BIRD (PRD_900009) GlyTouCan (G96370VA)		alpha-maltotriose
4	D	alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose	branched		828.7	1	In PDB BIRD (PRD_900030) GlyTouCan (G50146AM)		alpha-maltopentaose
5	E	alpha-D-quinovopyranose-(1-4)-alpha-D-glucopyranose	branched		326.3	1	In PDB GlyTouCan (G96906VH)
6	F	alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose	branched		990.9	1	In PDB BIRD (PRD_900035) GlyTouCan (G91368RN)		alpha-maltohexaose
7	A	CALCIUM ION	non-polymer		40.1	2	Chemie (CA)
8	A	1-AMINO-2,3-DIHYDROXY-5-HYDROXYMETHYL CYCLOHEX-5-ENE	non-polymer		159.2	1	Chemie (ADH)
9		water	water		18.0	126	Chemie (HOH)

Sequence modifications

A: 1 - 686 (UniProt: P43379)

PDB	External Database	Details
Phe 195	Tyr 222	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	74559.5
Branched	Number of molecules	5
	Total formula weight	2992.6
Non-Polymers*	Number of molecules	3
	Total formula weight	239.3
All*	Total formula weight	77791.4

*Water molecules are not included.