9FZ3

Crystal structure of K38 amylase from Bacillus sp. strain KSM-K38 covalently bound to alpha-1,6 branched pseudo-trisaccharide activity-based probe

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Amylase	polymer	502	57523.3	1	UniProt (Q93I48) Pfam (PF00128) Pfam (PF09154)	Bacillus sp. KSM-K38
2	B (B)	alpha-D-glucopyranose-(1-6)-alpha-D-glucopyranose	branched		342.3	1	In PDB GlyTouCan (G69864PN)
3	C (A)	(1~{S},4~{S},5~{R})-6-(hydroxymethyl)cyclohexane-1,2,3,4,5-pentol	non-polymer		194.2	1	Chemie (PBW)
4	D (A)	OCTAN-1-OL	non-polymer		130.2	1	Chemie (OC9)
5	E (A)	ACETATE ION	non-polymer		59.0	1	Chemie (ACT)
6	F, G, H (A)	SODIUM ION	non-polymer		23.0	3	Chemie (NA)
7	I (A)	water	water		18.0	232	Chemie (HOH)

Sequence modifications

A: 21 - 501 (UniProt: Q93I48)

PDB	External Database	Details
Met 0	-	initiating methionine
Gly 1	-	expression tag
Ser 2	-	expression tag
Ser 3	-	expression tag
His 4	-	expression tag
His 5	-	expression tag
His 6	-	expression tag
His 7	-	expression tag
His 8	-	expression tag
His 9	-	expression tag
Ser 10	-	expression tag
Ser 11	-	expression tag
Gly 12	-	expression tag
Leu 13	-	expression tag
Glu 14	-	expression tag
Val 15	-	expression tag
Leu 16	-	expression tag
Phe 17	-	expression tag
Gln 18	-	expression tag
Gly 19	-	expression tag
Pro 20	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	57523.3
Branched	Number of molecules	1
	Total formula weight	342.3
Non-Polymers*	Number of molecules	6
	Total formula weight	452.4
All*	Total formula weight	58318.0

*Water molecules are not included.