3HIW

Crystal structure of Saporin-L1 in complex with the cyclic tetranucleotide inhibitor, a transition state analogue

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Vacuolar saporin	polymer	259	28767.8	2	UniProt (Q2QEH4) Pfam (PF00161) In PDB	Saponaria officinalis (Common soapwort)
2	A, B	9,9'-{(2R,3R,3aR,5S,7aR,9R,10R,10aR,12S,23R,25aR,27R,28R,28aR,30S,32aR,35aR,37S,39aR)-9-(6-amino-9H-purin-9-yl)-34-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-5,12,23,30,37-pentahydroxy-3,10,28-trimethoxy-5,12,23,30,37-pentaoxidotetracosahydro-2H,7H,25H-trifuro[3,2-f:3',2'-l:3'',2''-x]pyrrolo[3,4-r][1,3,5,9,11,15,17,21,23,27,29,2,4,10,16,22,28]undecaoxazapentaphosphacyclopentatriacontine-2,27-diyl}bis(2-amino-3,9-dihydro-6H-purin-6-one)	non-polymer		1598.1	2	Chemie (C2X)
3		water	water		18.0	442	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	57535.5
Non-Polymers*	Number of molecules	2
	Total formula weight	3196.2
All*	Total formula weight	60731.8

*Water molecules are not included.