7K9O

Co-crystal structure of alpha glucosidase with compound 3

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, C (A, C)	Alpha glucosidase 2 alpha neutral subunit	polymer	977	110654.1	2	UniProt (A1A4T2)	Mus musculus (Mouse)	Neutral alpha-glucosidase AB
2	B, D (B, D)	Glucosidase 2 subunit beta	polymer	547	61451.5	2	UniProt (O08795) Pfam (PF12999) Pfam (PF13202) Pfam (PF07915)	Mus musculus (Mouse)	80K-H protein,Glucosidase II subunit beta,Protein kinase C substrate 60.1 kDa protein heavy chain,PKCSH
3	BA, E (C, A)	(1~{S},2~{S},3~{R},4~{S},5~{S})-1-(hydroxymethyl)-5-[6-[[2-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]-4-(1,2,3,4-tetrazol-1-yl)phenyl]amino]hexylamino]cyclohexane-1,2,3,4-tetrol	non-polymer		481.5	2	Chemie (W9P)
4	AA, EA, F, FA, G... (B, C, A)	1,2-ETHANEDIOL	non-polymer		62.1	27	Chemie (EDO)
5	IA, J, K (C, A)	TRIETHYLENE GLYCOL	non-polymer		150.2	3	Chemie (PGE)
6	DA, M, R, X (C, A)	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	4	Chemie (PEG)
7	RA, SA, Y, Z (D, B)	CALCIUM ION	non-polymer		40.1	4	Chemie (CA)
8	CA (C)	SULFATE ION	non-polymer		96.1	1	Chemie (SO4)
9	TA, UA, VA, WA (A, B, C, D)	water	water		18.0	619	Chemie (HOH)

Sequence modifications

A, C: 33 - 966 (UniProt: A1A4T2)

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
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 - 517 (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
Ser 518	-	expression tag
Ala 519	-	expression tag
Trp 520	-	expression tag
Leu 521	-	expression tag
Glu 522	-	expression tag
Thr 523	-	expression tag
Lys 524	-	expression tag
His 525	-	expression tag
His 526	-	expression tag
His 527	-	expression tag
His 528	-	expression tag
His 529	-	expression tag
His 530	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	344211.1
Non-Polymers*	Number of molecules	41
	Total formula weight	3770.2
All*	Total formula weight	347981.3

*Water molecules are not included.