3UL5

Saccharum officinarum canecystatin-1 in space group C2221

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	Canecystatin-1	polymer	139	15367.4	4	UniProt (Q7Y0Q9) Pfam (PF16845) In PDB	Saccharum officinarum (noble cane sugarcane)
2	A, B	GLYCEROL	non-polymer		92.1	2	Chemie (GOL)
3	A	SODIUM ION	non-polymer		23.0	1	Chemie (NA)
4		water	water		18.0	130	Chemie (HOH)

Sequence modifications

A, B, C, D: 1 - 106 (UniProt: Q7Y0Q9)

PDB	External Database	Details
Met -32	-	expression tag
Gly -31	-	expression tag
Ser -30	-	expression tag
Ser -29	-	expression tag
His -28	-	expression tag
His -27	-	expression tag
His -26	-	expression tag
His -25	-	expression tag
His -24	-	expression tag
His -23	-	expression tag
Ser -22	-	expression tag
Ser -21	-	expression tag
Gly -20	-	expression tag
Leu -19	-	expression tag
Val -18	-	expression tag
Pro -17	-	expression tag
Arg -16	-	expression tag
Gly -15	-	expression tag
Ser -14	-	expression tag
His -13	-	expression tag
Met -12	-	expression tag
Ala -11	-	expression tag
Ser -10	-	expression tag
Met -9	-	expression tag
Thr -8	-	expression tag
Gly -7	-	expression tag
Gly -6	-	expression tag
Gln -5	-	expression tag
Gln -4	-	expression tag
Met -3	-	expression tag
Gly -2	-	expression tag
Arg -1	-	expression tag
Gly 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	61469.5
Non-Polymers*	Number of molecules	3
	Total formula weight	207.2
All*	Total formula weight	61676.6

*Water molecules are not included.