7KBR

Co-crystal structure of alpha glucosidase with compound 10

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, E (G, I)	Neutral alpha-glucosidase AB Trypsin-cleaved Fragment #1	polymer	183	20318.7	2	UniProt (Q8BHN3) Pfam (PF13802)	Mus musculus (Mouse)	Alpha-glucosidase 2,Glucosidase II subunit alpha
2	B, F (H, J)	Neutral alpha-glucosidase AB Trypsin-cleaved Fragment #2	polymer	107	12052.3	2	UniProt (Q8BHN3) Pfam (PF13802)	Mus musculus (Mouse)	Alpha-glucosidase 2,Glucosidase II subunit alpha
3	C, G (A, C)	Neutral alpha-glucosidase AB Trypsin-cleaved Fragment #3	polymer	609	69898.7	2	UniProt (Q8BHN3) Pfam (PF01055) Pfam (PF21365)	Mus musculus (Mouse)	Alpha-glucosidase 2,Glucosidase II subunit alpha
4	D, H (B, D)	Glucosidase 2 subunit beta	polymer	134	14323.0	2	UniProt (O08795) Pfam (PF12999)	Mus musculus (Mouse)	80K-H protein,Glucosidase II subunit beta,Protein kinase C substrate 60.1 kDa protein heavy chain,PKCSH
5	AA, BB, CA, CB, DB... (A, C, G, H, B...)	1,2-ETHANEDIOL	non-polymer		62.1	31	Chemie (EDO)
6	AB, BA, DA, EA, GB... (C, A, G)	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	14	Chemie (PEG)
7	L, LA, MA, N, NA... (G, A, H, C, B)	SULFATE ION	non-polymer		96.1	8	Chemie (SO4)
8	KA, Q, QA, T, Y (A, B)	TRIETHYLENE GLYCOL	non-polymer		150.2	5	Chemie (PGE)
9	U, UB, ZA (A, D, C)	TETRAETHYLENE GLYCOL	non-polymer		194.2	3	Chemie (PG4)
10	IA, QB (A, C)	2-{[2-nitro-4-(triazan-1-yl)phenyl]amino}ethyl (2-{[(1S,2S,3R,4S,5S)-2,3,4,5-tetrahydroxy-5-(hydroxymethyl)cyclohexyl]amino}ethyl)carbamate	non-polymer		489.5	2	Chemie (WAS)
11	RA, SA, VB, WB (B, D)	CALCIUM ION	non-polymer		40.1	4	Chemie (CA)
12	AC, BC, CC, DC, EC... (B, I, J, C, D...)	water	water		18.0	1281	Chemie (HOH)

Sequence modifications

G, I: 33 - 184 (UniProt: Q8BHN3)

PDB	External Database	Details
Met 2	-	initiating methionine
Gly 3	-	expression tag
Ile 4	-	expression tag
Leu 5	-	expression tag
Pro 6	-	expression tag
Ser 7	-	expression tag
Pro 8	-	expression tag
Gly 9	-	expression tag
Met 10	-	expression tag
Pro 11	-	expression tag
Ala 12	-	expression tag
Leu 13	-	expression tag
Leu 14	-	expression tag
Ser 15	-	expression tag
Leu 16	-	expression tag
Val 17	-	expression tag
Ser 18	-	expression tag
Leu 19	-	expression tag
Leu 20	-	expression tag
Ser 21	-	expression tag
Val 22	-	expression tag
Leu 23	-	expression tag
Leu 24	-	expression tag
Met 25	-	expression tag
Gly 26	-	expression tag
Cys 27	-	expression tag
Val 28	-	expression tag
Ala 29	-	expression tag
Glu 30	-	expression tag
Thr 31	-	expression tag
Gly 32	-	expression tag
Asp 97	Asn 97	engineered mutation

A, C: 370 - 966 (UniProt: Q8BHN3)

PDB	External Database	Details
Ser 967	-	expression tag
Ala 968	-	expression tag
Trp 969	-	expression tag
Ser 970	-	expression tag
His 971	-	expression tag
Pro 972	-	expression tag
Gln 973	-	expression tag
Phe 974	-	expression tag
Glu 975	-	expression tag
Lys 976	-	expression tag
Leu 977	-	expression tag
Glu 978	-	expression tag

B, D: 15 - 117 (UniProt: O08795)

PDB	External Database	Details
Met -16	-	initiating methionine
Gly -15	-	expression tag
Ile -14	-	expression tag
Leu -13	-	expression tag
Pro -12	-	expression tag
Ser -11	-	expression tag
Pro -10	-	expression tag
Gly -9	-	expression tag
Met -8	-	expression tag
Pro -7	-	expression tag
Ala -6	-	expression tag
Leu -5	-	expression tag
Leu -4	-	expression tag
Ser -3	-	expression tag
Leu -2	-	expression tag
Val -1	-	expression tag
Ser 0	-	expression tag
Leu 1	-	expression tag
Leu 2	-	expression tag
Ser 3	-	expression tag
Val 4	-	expression tag
Leu 5	-	expression tag
Leu 6	-	expression tag
Met 7	-	expression tag
Gly 8	-	expression tag
Cys 9	-	expression tag
Val 10	-	expression tag
Ala 11	-	expression tag
Glu 12	-	expression tag
Thr 13	-	expression tag
Gly 14	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	8
	Total formula weight	233185.5
Non-Polymers*	Number of molecules	67
	Total formula weight	6651.1
All*	Total formula weight	239836.6

*Water molecules are not included.