9FYZ

Crystal structure of SusA amylase from Bacteroides thetaiotaomicron 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, B, C, D, E... (A, B, C, D, E...)	Neopullulanase SusA	polymer	610	70594.2	6	UniProt (Q8A1G0) Pfam (PF09087) Pfam (PF00128) Pfam (PF10438)	Bacteroides thetaiotaomicron	Starch-utilization system protein A
2	G, H, I, J, K... (G, H, I, J, K...)	alpha-D-glucopyranose-(1-6)-alpha-D-glucopyranose	branched		342.3	6	In PDB GlyTouCan (G69864PN)
3	FA, M, MA, RA, T... (D, A, E, F, B...)	(1~{S},4~{S},5~{R})-6-(hydroxymethyl)cyclohexane-1,2,3,4,5-pentol	non-polymer		194.2	6	Chemie (PBW)
4	GA, N, NA, U, Z (D, A, E, B, C)	OCTAN-1-OL	non-polymer		130.2	5	Chemie (OC9)
5	AA, BA, CA, HA, IA... (C, D, A, E, F...)	IMIDAZOLE	non-polymer		69.1	12	Chemie (IMD)
6	DA, EA, KA, LA, PA... (C, D, E, A, F...)	CALCIUM ION	non-polymer		40.1	12	Chemie (CA)
7	AB, VA, WA, XA, YA... (F, A, B, C, D...)	water	water		18.0	714	Chemie (HOH)

Sequence modifications

A, B, C, D, E, F: 22 - 617 (UniProt: Q8A1G0)

PDB	External Database	Details
Met 8	-	initiating methionine
His 9	-	expression tag
His 10	-	expression tag
His 11	-	expression tag
His 12	-	expression tag
His 13	-	expression tag
His 14	-	expression tag
Glu 15	-	expression tag
Asn 16	-	expression tag
Leu 17	-	expression tag
Tyr 18	-	expression tag
Phe 19	-	expression tag
Gln 20	-	expression tag
Gly 21	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	6
	Total formula weight	423565.2
Branched	Number of molecules	6
	Total formula weight	2053.8
Non-Polymers*	Number of molecules	35
	Total formula weight	3126.2
All*	Total formula weight	428745.1

*Water molecules are not included.