4J3W

Crystal structure of barley limit dextrinase (E510A mutant) in complex with a branched maltohexasaccharide

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Limit dextrinase	polymer	905	99688.7	1	UniProt (Q9FYY0) Pfam (PF17967) Pfam (PF02922) Pfam (PF11852)	Hordeum vulgare (barley)
2	B (B)	alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-6)-[alpha-D-glucopyranose-(1-4)]alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose	branched		990.9	1	In PDB GlyTouCan (G00586UK)
3	C (A)	CALCIUM ION	non-polymer		40.1	1	Chemie (CA)
4	D, E, F, G, H... (A)	IODIDE ION	non-polymer		126.9	8	Chemie (IOD)
5	L (A)	water	water		18.0	375	Chemie (HOH)

Sequence modifications

A: 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
Ala 510	Glu 530	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	99688.7
Branched	Number of molecules	1
	Total formula weight	990.9
Non-Polymers*	Number of molecules	9
	Total formula weight	1055.3
All*	Total formula weight	101734.9

*Water molecules are not included.