4DT2

Crystal structure of red kidney bean purple acid phosphatase in complex with Maybridge fragment CC27209

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)	Purple acid phosphatase	polymer	426	49555.4	4	UniProt (O24319) Pfam (PF16656) Pfam (PF00149) Pfam (PF14008) UniProt (by SIFTS) (P80366)	Phaseolus vulgaris (French bean kidney bean string bean)
2	E, F, G, H, J... (E, F, G, H, J...)	alpha-L-fucopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)]2-acetamido-2-deoxy-beta-D-glucopyranose	branched		570.5	8	In PDB GlyTouCan (G11971MR)
3	I (I)	alpha-L-fucopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		367.3	1	In PDB GlyTouCan (G80587NA)
4	AA, JA, N, SA (B, C, A, D)	ZINC ION	non-polymer		65.4	4	Chemie (ZN)
5	BA, KA, O, TA (B, C, A, D)	FE (III) ION	non-polymer		55.8	4	Chemie (FE)
6	MA, P, UA (C, A, D)	GLYCEROL	non-polymer		92.1	3	Chemie (GOL)
7	DA, NA, Q, VA (B, C, A, D)	(2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl)methanol	non-polymer		178.2	4	Chemie (0LV)
8	EA, FA, GA, OA, PA... (B, C, A, D)	SULFATE ION	non-polymer		96.1	16	Chemie (SO4)
9	X (A)	ACETATE ION	non-polymer		59.0	1	Chemie (ACT)
10	Y (A)	1,2-ETHANEDIOL	non-polymer		62.1	1	Chemie (EDO)
11	AB, CA, HA, IA, LA... (D, B, C, A)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	7	Chemie (NAG)
12	BB, CB, DB, EB (A, B, C, D)	water	water		18.0	393	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	198221.6
Branched	Number of molecules	9
	Total formula weight	4931.7
Non-Polymers*	Number of molecules	40
	Total formula weight	4680.8
All*	Total formula weight	207834.1

*Water molecules are not included.