8AE4

Crystal structure of human legumain in complex with Clitocypin 2

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Legumain	polymer	263	30147.9	1	UniProt (Q99538) Pfam (PF01650) In PDB	Homo sapiens (human)	Asparaginyl endopeptidase,Protease,cysteine 1
2	B	Clitocypin-2	polymer	160	18039.0	1	UniProt (Q3Y9I4) Pfam (PF10467) In PDB	Clitocybe nebularis	Cysteine protease inhibitor clt2
3	C	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	1	In PDB GlyTouCan (G42666HT)
4	A	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	2	Chemie (NAG)
5		water	water		18.0	323	Chemie (HOH)

Sequence modifications

A: 26 - 288 (UniProt: Q99538)

PDB	External Database	Details
Snn 147	Asp 147	modified residue
Gln 263	Asn 263	conflict

B: 1 - 152 (UniProt: Q3Y9I4)

PDB	External Database	Details
Leu 153	-	expression tag
Glu 154	-	expression tag
His 155	-	expression tag
His 156	-	expression tag
His 157	-	expression tag
His 158	-	expression tag
His 159	-	expression tag
His 160	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	48186.9
Branched	Number of molecules	1
	Total formula weight	424.4
Non-Polymers*	Number of molecules	2
	Total formula weight	442.4
All*	Total formula weight	49053.7

*Water molecules are not included.