3WF4

Crystal structure of human beta-galactosidase mutant I51T in complex with 6S-NBI-DGJ

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	Beta-galactosidase	polymer	678	76606.3	4	UniProt (P16278) Pfam (PF01301) Pfam (PF21317) Pfam (PF21467) In PDB	Homo sapiens (human)	Acid beta-galactosidase, Lactase, Elastin receptor 1
2	C, A, D, B	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	16	Chemie (NAG)
3	C, A, D, B	CHLORIDE ION	non-polymer		35.5	4	Chemie (CL)
4	C, A, D, B	(3Z,6S,7R,8S,8aS)-3-(butylimino)hexahydro[1,3]thiazolo[3,4-a]pyridine-6,7,8-triol	non-polymer		260.4	4	Chemie (6DJ)
5	C, A, D, B	SULFATE ION	non-polymer		96.1	8	Chemie (SO4)
6	C, A, D, B	1,2-ETHANEDIOL	non-polymer		62.1	8	Chemie (EDO)
7		water	water		18.0	1241	Chemie (HOH)

Sequence modifications

A, B, C, D: 24 - 677 (UniProt: P16278)

PDB	External Database	Details
Glu 0	-	expression tag
Ala 1	-	expression tag
Glu 2	-	expression tag
Ala 3	-	expression tag
Tyr 4	-	expression tag
Val 5	-	expression tag
Glu 6	-	expression tag
Phe 7	-	expression tag
His 8	-	expression tag
His 9	-	expression tag
His 10	-	expression tag
His 11	-	expression tag
His 12	-	expression tag
His 13	-	expression tag
Asp 14	-	expression tag
Tyr 15	-	expression tag
Lys 16	-	expression tag
Asp 17	-	expression tag
Asp 18	-	expression tag
Asp 19	-	expression tag
Asp 20	-	expression tag
Lys 21	-	expression tag
Thr 22	-	expression tag
Ser 23	-	expression tag
Thr 51	Ile 51	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	306425.2
Non-Polymers*	Number of molecules	40
	Total formula weight	5987.6
All*	Total formula weight	312412.8

*Water molecules are not included.