6OF5

The crystal structure of dodecyloxy(naphthalen-1-yl)methylphosphonic acid in complex with red kidney bean purple acid phosphatase

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, D, C	Fe(3+)-Zn(2+) purple acid phosphatase	polymer	426	49555.4	4	UniProt (P80366) Pfam (PF16656) Pfam (PF00149) Pfam (PF14008) In PDB	Phaseolus vulgaris (Kidney bean)	PAP,Iron(III)-zinc(II) purple acid phosphatase
2	E, H, K, M	alpha-L-fucopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)]2-acetamido-2-deoxy-beta-D-glucopyranose	branched		570.5	4	In PDB GlyTouCan (G11971MR)
3	F, I, J, N	beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-3)]2-acetamido-2-deoxy-beta-D-glucopyranose	branched		732.7	4	In PDB GlyTouCan (G18638YB)
4	G	alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-3)]2-acetamido-2-deoxy-beta-D-glucopyranose	branched		1057.0	1	In PDB GlyTouCan (G43648DB)
5	L	alpha-L-fucopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		367.3	1	In PDB GlyTouCan (G80587NA)
6	B, C, A, D	ZINC ION	non-polymer		65.4	4	Chemie (ZN)
7	B, C, A, D	FE (III) ION	non-polymer		55.8	4	Chemie (FE)
8	B, C, A, D	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	7	Chemie (NAG)
9	B, C, A, D	SULFATE ION	non-polymer		96.1	19	Chemie (SO4)
10	C, A, D	SODIUM ION	non-polymer		23.0	5	Chemie (NA)
11	D, B, C, A	1,2-ETHANEDIOL	non-polymer		62.1	14	Chemie (EDO)
12	A, D	TRIETHYLENE GLYCOL	non-polymer		150.2	5	Chemie (PGE)
13	A	[(R)-{[(2E,4Z,8Z)-dodeca-2,4,8-trien-1-yl]oxy}(naphthalen-1-yl)methyl]phosphonic acid	non-polymer		400.4	1	Chemie (MFJ)
14	D	GLYCEROL	non-polymer		92.1	1	Chemie (GOL)
15		water	water		18.0	1146	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	198221.6
Branched	Number of molecules	10
	Total formula weight	6637.2
Non-Polymers*	Number of molecules	60
	Total formula weight	6086.0
All*	Total formula weight	210944.8

*Water molecules are not included.