4J3U

Crystal structure of barley limit dextrinase in complex with maltosyl-S-betacyclodextrin

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Limit dextrinase	polymer	905	99746.7	2	UniProt (Q9FYY0) Pfam (PF17967) Pfam (PF02922) Pfam (PF11852) In PDB	Hordeum vulgare (barley)
2	C, D	Cyclic 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-(1-4)-[alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-1)]6-thio-alpha-D-glucopyranose	branched		1493.3	2	In PDB GlyTouCan (G65588TB)
3	B, A	IODIDE ION	non-polymer		126.9	32	Chemie (IOD)
4	B, A	CALCIUM ION	non-polymer		40.1	4	Chemie (CA)
5	A, B	CHLORIDE ION	non-polymer		35.5	2	Chemie (CL)
6		water	water		18.0	1612	Chemie (HOH)

Sequence modifications

A, B: 2 - 885 (UniProt: Q9FYY0)

PDB	External Database	Details
Met -19	-	expression tag
Gly -18	-	expression tag
Ser -17	-	expression tag
Ser -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
Ser -9	-	expression tag
Ser -8	-	expression tag
Gly -7	-	expression tag
Leu -6	-	expression tag
Val -5	-	expression tag
Pro -4	-	expression tag
Arg -3	-	expression tag
Gly -2	-	expression tag
Ser -1	-	expression tag
His 0	-	expression tag
Met 1	-	expression tag
Arg 82	Lys 102	SEE REMARK 999
Ala 213	Thr 233	SEE REMARK 999
Arg 395	Cys 415	SEE REMARK 999

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	199493.5
Branched	Number of molecules	2
	Total formula weight	2986.7
Non-Polymers*	Number of molecules	38
	Total formula weight	4292.1
All*	Total formula weight	206772.3

*Water molecules are not included.