3WF2

Crystal structure of human beta-galactosidase in complex with NBT-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 (A, B, C, D)	Beta-galactosidase	polymer	678	76618.3	4	UniProt (P16278) Pfam (PF01301) Pfam (PF21317) Pfam (PF21467)	Homo sapiens (human)	Acid beta-galactosidase, Lactase, Elastin receptor 1
2	AA, BA, E, F, G... (C, A, D, B)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	16	Chemie (NAG)
3	FA, I, JA, S (C, A, D, B)	CHLORIDE ION	non-polymer		35.5	4	Chemie (CL)
4	CA, J, PA, T (C, A, D, B)	(2R,3S,4R,5S)-N-butyl-3,4,5-trihydroxy-2-(hydroxymethyl)piperidine-1-carbothioamide	non-polymer		278.4	4	Chemie (NDJ)
5	DA, EA, K, L, QA... (C, A, D, B)	SULFATE ION	non-polymer		96.1	8	Chemie (SO4)
6	GA, HA, M, N, NA... (C, A, D, B)	1,2-ETHANEDIOL	non-polymer		62.1	8	Chemie (EDO)
7	SA, TA, UA, VA (A, B, C, D)	water	water		18.0	1092	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

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	306473.4
Non-Polymers*	Number of molecules	40
	Total formula weight	6059.7
All*	Total formula weight	312533.0

*Water molecules are not included.